Detailed information for compound 1463299
Basic information
Technical information
- TDR Targets ID: 1463299
- Name: AIDS-212773
- MW: 441.482 | Formula: C25H23N5O3
-
H donors: 0
H acceptors: 4
LogP: 2.79
Rotable bonds: 5
Rule of 5 violations (Lipinski): 1 - SMILES: CCn1c2ncc(cc2c(=O)n(c2c1nccc2)C)CCOc1cc[n+](c2c1cccc2)[O-]
- InChi: 1S/C25H23N5O3/c1-3-29-23-19(25(31)28(2)21-9-6-12-26-24(21)29)15-17(16-27-23)11-14-33-22-10-13-30(32)20-8-5-4-7-18(20)22/h4-10,12-13,15-16H,3,11,14H2,1-2H3
- InChiKey: BEMBRAMZGVDPMH-UHFFFAOYSA-N
Network
Hover on a compound node to display the structore
Synonyms
- AIDS212773
- BILR 355 BS
- 6H-Dipyrido[2,3-e:3',2'-b][1,4]diazepin-6-one, 11-ethyl-5,11-dihydro-5-methyl-8-[2-[(1-oxido-4-quinolinyl)oxy]ethyl]-
Targets
Known targets for this compound
| Species | Target name | Source | Bibliographic reference |
|---|---|---|---|
| Human immunodeficiency virus 1 | Reverse transcriptase | Starlite/ChEMBL | References |
Predicted pathogen targets for this compound
By orthology
| Species | Potential target | Known druggable target/s | Ortholog Group |
|---|---|---|---|
| Schistosoma mansoni | hypothetical protein | Get druggable targets OG5_139608 | All targets in OG5_139608 |
| Plasmodium yoelii | integrase-related | Get druggable targets OG5_139608 | All targets in OG5_139608 |
| Trypanosoma congolense | RNA helicase, putative | Get druggable targets OG5_139608 | All targets in OG5_139608 |
| Trypanosoma brucei | RNA helicase, putative | Get druggable targets OG5_139608 | All targets in OG5_139608 |
By sequence similarity to non orthologous known druggable targets
Obtained from network model
Ranking Plot
Putative Targets List
| Species | Potential target | Raw | Global | Species |
|---|---|---|---|---|
| Trypanosoma brucei | RNA helicase, putative | 0.0167 | 0.4906 | 0.5 |
| Brugia malayi | Matrixin family protein | 0.0161 | 0.4509 | 0.5185 |
| Trypanosoma cruzi | fatty acid transporter protein-like, putative | 0.0216 | 0.8222 | 0.5 |
| Schistosoma mansoni | FFA transport protein | 0.0216 | 0.8222 | 1 |
| Schistosoma mansoni | matrix metallopeptidase-9 (M10 family) | 0.0097 | 0.0197 | 0.0239 |
| Mycobacterium ulcerans | long-chain-acyl-CoA synthetase | 0.0223 | 0.8695 | 0.5 |
| Schistosoma mansoni | hypothetical protein | 0.0167 | 0.4906 | 0.5967 |
| Echinococcus multilocularis | matrix metallopeptidase 7 (M10 family) | 0.0242 | 1 | 1 |
| Trypanosoma cruzi | fatty acid transporter protein-like, putative | 0.0216 | 0.8222 | 0.5 |
| Brugia malayi | AMP-binding enzyme family protein | 0.0223 | 0.8695 | 1 |
| Loa Loa (eye worm) | AMP-binding enzyme family protein | 0.0223 | 0.8695 | 1 |
| Mycobacterium tuberculosis | Probable fatty-acid-CoA ligase FadD6 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) | 0.0213 | 0.8031 | 0.5 |
| Onchocerca volvulus | Matrix metalloproteinase homolog | 0.0148 | 0.3607 | 1 |
| Onchocerca volvulus | Matrilysin homolog | 0.0148 | 0.3607 | 1 |
| Mycobacterium leprae | possible long-chain acyl-CoA synthase | 0.0213 | 0.8031 | 0.5 |
| Leishmania major | fatty acid transporter protein-like protein | 0.0213 | 0.8031 | 0.5 |
| Loa Loa (eye worm) | matrixin family protein | 0.0161 | 0.4509 | 0.1772 |
Activities
| Activity type | Activity value | Assay description | Source | Reference |
|---|---|---|---|---|
| Activity (ADMET) | = 0 % | Toxicity in healthy human assessed as occurrence of maculopapular rash at 100 mg, po administered as single dose | ChEMBL. | 18824608 |
| Activity (ADMET) | = 0 % | Toxicity in high fat fed healthy human assessed as occurrence of maculopapular rash at 50 mg, po administered as single dose coadministered with 100 mg of ritonavir | ChEMBL. | 18824608 |
| Activity (ADMET) | = 0 % | Toxicity in healthy human assessed as occurrence of maculopapular rash at 75 mg, po administered as single dose coadministered with 100 mg of ritonavir | ChEMBL. | 18824608 |
| Activity (ADMET) | = 0 % | Toxicity in healthy human assessed as occurrence of maculopapular rash at 62.5 mg, po administered as single dose coadministered with 100 mg of ritonavir | ChEMBL. | 18824608 |
| Activity (ADMET) | = 0 % | Toxicity in healthy human assessed as occurrence of maculopapular rash at 50 mg, po administered as single dose coadministered with 100 mg of ritonavir | ChEMBL. | 18824608 |
| Activity (ADMET) | = 0 % | Toxicity in healthy human assessed as occurrence of maculopapular rash at 12.5 mg, po administered as single dose coadministered with 100 mg of ritonavir | ChEMBL. | 18824608 |
| Activity (ADMET) | = 0 % | Toxicity in healthy human assessed as occurrence of maculopapular rash at 5 mg, po administered as single dose coadministered with 100 mg of ritonavir | ChEMBL. | 18824608 |
| Activity (ADMET) | = 0 % | Toxicity in healthy human assessed as occurrence of fatigue at 100 mg, po administered as single dose | ChEMBL. | 18824608 |
| Activity (ADMET) | = 0 % | Toxicity in healthy human assessed as occurrence of fatigue at 87.5 mg, po administered as single dose coadministered with 100 mg of ritonavir | ChEMBL. | 18824608 |
| Activity (ADMET) | = 0 % | Toxicity in healthy human assessed as occurrence of fatigue at 75 mg, po administered as single dose coadministered with 100 mg of ritonavir | ChEMBL. | 18824608 |
| Activity (ADMET) | = 0 % | Toxicity in healthy human assessed as occurrence of fatigue at 62.5 mg, po administered as single dose coadministered with 100 mg of ritonavir | ChEMBL. | 18824608 |
| Activity (ADMET) | = 0 % | Toxicity in healthy human assessed as occurrence of fatigue at 50 mg, po administered as single dose coadministered with 100 mg of ritonavir | ChEMBL. | 18824608 |
| Activity (ADMET) | = 0 % | Toxicity in healthy human assessed as occurrence of fatigue at 37.5 mg, po administered as single dose coadministered with 100 mg of ritonavir | ChEMBL. | 18824608 |
| Activity (ADMET) | = 0 % | Toxicity in healthy human assessed as occurrence of fatigue at 25 mg, po administered as single dose coadministered with 100 mg of ritonavir | ChEMBL. | 18824608 |
| Activity (ADMET) | = 0 % | Toxicity in healthy human assessed as occurrence of fatigue at 12.5 mg, po administered as single dose coadministered with 100 mg of ritonavir | ChEMBL. | 18824608 |
| Activity (ADMET) | = 0 % | Toxicity in healthy human assessed as occurrence of fatigue at 5 mg, po administered as single dose coadministered with 100 mg of ritonavir | ChEMBL. | 18824608 |
| Activity (ADMET) | = 0 % | Toxicity in high fat fed healthy human assessed as occurrence of diarrhea at 50 mg, po administered as single dose coadministered with 100 mg of ritonavir | ChEMBL. | 18824608 |
| Activity (ADMET) | = 0 % | Toxicity in healthy human assessed as occurrence of diarrhea at 75 mg, po administered as single dose coadministered with 100 mg of ritonavir | ChEMBL. | 18824608 |
| Activity (ADMET) | = 0 % | Toxicity in healthy human assessed as occurrence of diarrhea at 62.5 mg, po administered as single dose coadministered with 100 mg of ritonavir | ChEMBL. | 18824608 |
| Activity (ADMET) | = 0 % | Toxicity in healthy human assessed as occurrence of diarrhea at 50 mg, po administered as single dose coadministered with 100 mg of ritonavir | ChEMBL. | 18824608 |
| Activity (ADMET) | = 0 % | Toxicity in healthy human assessed as occurrence of diarrhea at 37.5 mg, po administered as single dose coadministered with 100 mg of ritonavir | ChEMBL. | 18824608 |
| Activity (ADMET) | = 0 % | Toxicity in healthy human assessed as occurrence of diarrhea at 25 mg, po administered as single dose coadministered with 100 mg of ritonavir | ChEMBL. | 18824608 |
| Activity (ADMET) | = 0 % | Toxicity in healthy human assessed as occurrence of diarrhea at 12.5 mg, po administered as single dose coadministered with 100 mg of ritonavir | ChEMBL. | 18824608 |
| Activity (ADMET) | = 0 % | Toxicity in healthy human assessed as occurrence of diarrhea at 5 mg, po administered as single dose coadministered with 100 mg of ritonavir | ChEMBL. | 18824608 |
| Activity (ADMET) | = 0 % | Toxicity in healthy human assessed as occurrence of aphthous stomatitis at 100 mg, po administered as single dose | ChEMBL. | 18824608 |
| Activity (ADMET) | = 0 % | Toxicity in high fat fed healthy human assessed as occurrence of aphthous stomatitis at 50 mg, po administered as single dose coadministered with 100 mg of ritonavir | ChEMBL. | 18824608 |
| Activity (ADMET) | = 0 % | Toxicity in healthy human assessed as occurrence of aphthous stomatitis at 87.5 mg, po administered as single dose coadministered with 100 mg of ritonavir | ChEMBL. | 18824608 |
| Activity (ADMET) | = 0 % | Toxicity in healthy human assessed as occurrence of aphthous stomatitis at 75 mg, po administered as single dose coadministered with 100 mg of ritonavir | ChEMBL. | 18824608 |
| Activity (ADMET) | = 0 % | Toxicity in healthy human assessed as occurrence of aphthous stomatitis at 62.5 mg, po administered as single dose coadministered with 100 mg of ritonavir | ChEMBL. | 18824608 |
| Activity (ADMET) | = 0 % | Toxicity in healthy human assessed as occurrence of aphthous stomatitis at 50 mg, po administered as single dose coadministered with 100 mg of ritonavir | ChEMBL. | 18824608 |
| Activity (ADMET) | = 0 % | Toxicity in healthy human assessed as occurrence of aphthous stomatitis at 37.5 mg, po administered as single dose coadministered with 100 mg of ritonavir | ChEMBL. | 18824608 |
| Activity (ADMET) | = 0 % | Toxicity in healthy human assessed as occurrence of aphthous stomatitis at 12.5 mg, po administered as single dose coadministered with 100 mg of ritonavir | ChEMBL. | 18824608 |
| Activity (ADMET) | = 0 % | Toxicity in healthy human assessed as occurrence of frequent bowel movements at 100 mg, po administered as single dose relative to control | ChEMBL. | 18824608 |
| Activity (ADMET) | = 0 % | Toxicity in healthy human assessed as occurrence of frequent bowel movements at 50 mg, po administered as single dose relative to control | ChEMBL. | 18824608 |
| Activity (ADMET) | = 0 % | Toxicity in healthy human assessed as occurrence of frequent bowel movements at 25 mg, po administered as single dose relative to control | ChEMBL. | 18824608 |
| Activity (ADMET) | = 0 % | Toxicity in healthy human assessed as occurrence of frequent bowel movements at 12.5 mg, po administered as single dose relative to control | ChEMBL. | 18824608 |
| Activity (ADMET) | = 0 % | Toxicity in healthy human assessed as occurrence of frequent bowel movements at 5 mg, po administered as single dose relative to control | ChEMBL. | 18824608 |
| Activity (ADMET) | = 0 % | Toxicity in healthy human assessed as occurrence of frequent bowel movements at 1 mg, po administered as single dose relative to control | ChEMBL. | 18824608 |
| Activity (ADMET) | = 0 % | Toxicity in healthy human assessed as occurrence of herpes simplex at 100 mg, po administered as single dose relative to control | ChEMBL. | 18824608 |
| Activity (ADMET) | = 0 % | Toxicity in healthy human assessed as occurrence of herpes simplex at 75 mg, po administered as single dose relative to control | ChEMBL. | 18824608 |
| Activity (ADMET) | = 0 % | Toxicity in healthy human assessed as occurrence of herpes simplex at 50 mg, po administered as single dose relative to control | ChEMBL. | 18824608 |
| Activity (ADMET) | = 0 % | Toxicity in healthy human assessed as occurrence of herpes simplex at 25 mg, po administered as single dose relative to control | ChEMBL. | 18824608 |
| Activity (ADMET) | = 0 % | Toxicity in healthy human assessed as occurrence of herpes simplex at 12.5 mg, po administered as single dose relative to control | ChEMBL. | 18824608 |
| Activity (ADMET) | = 0 % | Toxicity in healthy human assessed as occurrence of herpes simplex at 1 mg, po administered as single dose relative to control | ChEMBL. | 18824608 |
| Activity (ADMET) | = 0 % | Toxicity in healthy human assessed as occurrence of palpitations at 100 mg, po administered as single dose relative to control | ChEMBL. | 18824608 |
| Activity (ADMET) | = 0 % | Toxicity in healthy human assessed as occurrence of palpitations at 50 mg, po administered as single dose relative to control | ChEMBL. | 18824608 |
| Activity (ADMET) | = 0 % | Toxicity in healthy human assessed as occurrence of palpitations at 25 mg, po administered as single dose relative to control | ChEMBL. | 18824608 |
| Activity (ADMET) | = 0 % | Toxicity in healthy human assessed as occurrence of palpitations at 12.5 mg, po administered as single dose relative to control | ChEMBL. | 18824608 |
| Activity (ADMET) | = 0 % | Toxicity in healthy human assessed as occurrence of palpitations at 5 mg, po administered as single dose relative to control | ChEMBL. | 18824608 |
| Activity (ADMET) | = 0 % | Toxicity in healthy human assessed as occurrence of palpitations at 1 mg, po administered as single dose relative to control | ChEMBL. | 18824608 |
| Activity (ADMET) | = 0 % | Toxicity in healthy human assessed as occurrence of flatulence at 100 mg, po administered as single dose relative to control | ChEMBL. | 18824608 |
| Activity (ADMET) | = 0 % | Toxicity in healthy human assessed as occurrence of flatulence at 50 mg, po administered as single dose relative to control | ChEMBL. | 18824608 |
| Activity (ADMET) | = 0 % | Toxicity in healthy human assessed as occurrence of flatulence at 25 mg, po administered as single dose relative to control | ChEMBL. | 18824608 |
| Activity (ADMET) | = 0 % | Toxicity in healthy human assessed as occurrence of flatulence at 12.5 mg, po administered as single dose relative to control | ChEMBL. | 18824608 |
| Activity (ADMET) | = 0 % | Toxicity in healthy human assessed as occurrence of flatulence at 5 mg, po administered as single dose relative to control | ChEMBL. | 18824608 |
| Activity (ADMET) | = 0 % | Toxicity in healthy human assessed as occurrence of flatulence at 1 mg, po administered as single dose relative to control | ChEMBL. | 18824608 |
| Activity (ADMET) | = 0 % | Toxicity in healthy human assessed as occurrence of neurological eyelid disorder at 100 mg, po administered as single dose relative to control | ChEMBL. | 18824608 |
| Activity (ADMET) | = 0 % | Toxicity in healthy human assessed as occurrence of neurological eyelid disorder at 50 mg, po administered as single dose relative to control | ChEMBL. | 18824608 |
| Activity (ADMET) | = 0 % | Toxicity in healthy human assessed as occurrence of neurological eyelid disorder at 25 mg, po administered as single dose relative to control | ChEMBL. | 18824608 |
| Activity (ADMET) | = 0 % | Toxicity in healthy human assessed as occurrence of neurological eyelid disorder at 12.5 mg, po administered as single dose relative to control | ChEMBL. | 18824608 |
| Activity (ADMET) | = 0 % | Toxicity in healthy human assessed as occurrence of neurological eyelid disorder at 5 mg, po administered as single dose relative to control | ChEMBL. | 18824608 |
| Activity (ADMET) | = 0 % | Toxicity in healthy human assessed as occurrence of neurological eyelid disorder at 1 mg, po administered as single dose relative to control | ChEMBL. | 18824608 |
| Activity (ADMET) | = 0 % | Toxicity in healthy human assessed as occurrence of constipation at 100 mg, po administered as single dose relative to control | ChEMBL. | 18824608 |
| Activity (ADMET) | = 0 % | Toxicity in healthy human assessed as occurrence of constipation at 75 mg, po administered as single dose relative to control | ChEMBL. | 18824608 |
| Activity (ADMET) | = 0 % | Toxicity in healthy human assessed as occurrence of constipation at 50 mg, po administered as single dose relative to control | ChEMBL. | 18824608 |
| Activity (ADMET) | = 0 % | Toxicity in healthy human assessed as occurrence of constipation at 12.5 mg, po administered as single dose relative to control | ChEMBL. | 18824608 |
| Activity (ADMET) | = 0 % | Toxicity in healthy human assessed as occurrence of constipation at 5 mg, po administered as single dose relative to control | ChEMBL. | 18824608 |
| Activity (ADMET) | = 0 % | Toxicity in healthy human assessed as occurrence of constipation at 1 mg, po administered as single dose relative to control | ChEMBL. | 18824608 |
| Activity (ADMET) | = 0 % | Toxicity in healthy human assessed as occurrence of maculopapular rash at 100 mg, po administered as single dose relative to control | ChEMBL. | 18824608 |
| Activity (ADMET) | = 0 % | Toxicity in healthy human assessed as occurrence of maculopapular rash at 75 mg, po administered as single dose relative to control | ChEMBL. | 18824608 |
| Activity (ADMET) | = 0 % | Toxicity in healthy human assessed as occurrence of maculopapular rash at 50 mg, po administered as single dose relative to control | ChEMBL. | 18824608 |
| Activity (ADMET) | = 0 % | Toxicity in healthy human assessed as occurrence of maculopapular rash at 12.5 mg, po administered as single dose relative to control | ChEMBL. | 18824608 |
| Activity (ADMET) | = 0 % | Toxicity in healthy human assessed as occurrence of maculopapular rash at 5 mg, po administered as single dose relative to control | ChEMBL. | 18824608 |
| Activity (ADMET) | = 0 % | Toxicity in healthy human assessed as occurrence of maculopapular rash at 1 mg, po administered as single dose relative to control | ChEMBL. | 18824608 |
| Activity (ADMET) | = 0 % | Toxicity in healthy human assessed as occurrence of increase in alanine aminotransferase level at 100 mg, po administered as single dose relative to control | ChEMBL. | 18824608 |
| Activity (ADMET) | = 0 % | Toxicity in healthy human assessed as occurrence of increase in alanine aminotransferase level at 75 mg, po administered as single dose relative to control | ChEMBL. | 18824608 |
| Activity (ADMET) | = 0 % | Toxicity in healthy human assessed as occurrence of increase in alanine aminotransferase level at 50 mg, po administered as single dose relative to control | ChEMBL. | 18824608 |
| Activity (ADMET) | = 0 % | Toxicity in healthy human assessed as occurrence of increase in alanine aminotransferase level at 25 mg, po administered as single dose relative to control | ChEMBL. | 18824608 |
| Activity (ADMET) | = 0 % | Toxicity in healthy human assessed as occurrence of increase in alanine aminotransferase level at 12.5 mg, po administered as single dose relative to control | ChEMBL. | 18824608 |
| Activity (ADMET) | = 0 % | Toxicity in healthy human assessed as occurrence of increase in alanine aminotransferase level at 1 mg, po administered as single dose relative to control | ChEMBL. | 18824608 |
| Activity (ADMET) | = 0 % | Toxicity in healthy human assessed as occurrence of migraine at 100 mg, po administered as single dose relative to control | ChEMBL. | 18824608 |
| Activity (ADMET) | = 0 % | Toxicity in healthy human assessed as occurrence of migraine at 75 mg, po administered as single dose relative to control | ChEMBL. | 18824608 |
| Activity (ADMET) | = 0 % | Toxicity in healthy human assessed as occurrence of migraine at 50 mg, po administered as single dose relative to control | ChEMBL. | 18824608 |
| Activity (ADMET) | = 0 % | Toxicity in healthy human assessed as occurrence of migraine at 25 mg, po administered as single dose relative to control | ChEMBL. | 18824608 |
| Activity (ADMET) | = 0 % | Toxicity in healthy human assessed as occurrence of migraine at 12.5 mg, po administered as single dose relative to control | ChEMBL. | 18824608 |
| Activity (ADMET) | = 0 % | Toxicity in healthy human assessed as occurrence of migraine at 5 mg, po administered as single dose relative to control | ChEMBL. | 18824608 |
| Activity (ADMET) | = 0 % | Toxicity in healthy human assessed as occurrence of migraine at 1 mg, po administered as single dose relative to control | ChEMBL. | 18824608 |
| Activity (ADMET) | = 0 % | Toxicity in healthy human assessed as occurrence of vomiting at 100 mg, po administered as single dose relative to control | ChEMBL. | 18824608 |
| Activity (ADMET) | = 0 % | Toxicity in healthy human assessed as occurrence of vomiting at 75 mg, po administered as single dose relative to control | ChEMBL. | 18824608 |
| Activity (ADMET) | = 0 % | Toxicity in healthy human assessed as occurrence of vomiting at 50 mg, po administered as single dose relative to control | ChEMBL. | 18824608 |
| Activity (ADMET) | = 0 % | Toxicity in healthy human assessed as occurrence of vomiting at 25 mg, po administered as single dose relative to control | ChEMBL. | 18824608 |
| Activity (ADMET) | = 0 % | Toxicity in healthy human assessed as occurrence of vomiting at 12.5 mg, po administered as single dose relative to control | ChEMBL. | 18824608 |
| Activity (ADMET) | = 0 % | Toxicity in healthy human assessed as occurrence of vomiting at 5 mg, po administered as single dose relative to control | ChEMBL. | 18824608 |
| Activity (ADMET) | = 0 % | Toxicity in healthy human assessed as occurrence of vomiting at 1 mg, po administered as single dose relative to control | ChEMBL. | 18824608 |
| Activity (ADMET) | = 0 % | Toxicity in healthy human assessed as occurrence of nausea at 100 mg, po administered as single dose relative to control | ChEMBL. | 18824608 |
| Activity (ADMET) | = 0 % | Toxicity in healthy human assessed as occurrence of nausea at 75 mg, po administered as single dose relative to control | ChEMBL. | 18824608 |
| Activity (ADMET) | = 0 % | Toxicity in healthy human assessed as occurrence of nausea at 50 mg, po administered as single dose relative to control | ChEMBL. | 18824608 |
| Activity (ADMET) | = 0 % | Toxicity in healthy human assessed as occurrence of nausea at 25 mg, po administered as single dose relative to control | ChEMBL. | 18824608 |
| Activity (ADMET) | = 0 % | Toxicity in healthy human assessed as occurrence of nausea at 12.5 mg, po administered as single dose relative to control | ChEMBL. | 18824608 |
| Activity (ADMET) | = 0 % | Toxicity in healthy human assessed as occurrence of nausea at 5 mg, po administered as single dose relative to control | ChEMBL. | 18824608 |
| Activity (ADMET) | = 0 % | Toxicity in healthy human assessed as occurrence of nausea at 1 mg, po administered as single dose relative to control | ChEMBL. | 18824608 |
| Activity (ADMET) | = 0 % | Toxicity in healthy human assessed as occurrence of headache at 100 mg, po administered as single dose relative to control | ChEMBL. | 18824608 |
| Activity (ADMET) | = 0 % | Toxicity in healthy human assessed as occurrence of headache at 75 mg, po administered as single dose relative to control | ChEMBL. | 18824608 |
| Activity (ADMET) | = 0 % | Toxicity in healthy human assessed as occurrence of headache at 12.5 mg, po administered as single dose relative to control | ChEMBL. | 18824608 |
| Activity (ADMET) | = 0 % | Toxicity in healthy human assessed as occurrence of headache at 5 mg, po administered as single dose relative to control | ChEMBL. | 18824608 |
| Activity (ADMET) | = 0 % | Toxicity in healthy human assessed as occurrence of headache at 1 mg, po administered as single dose relative to control | ChEMBL. | 18824608 |
| Activity (ADMET) | = 0 % | Toxicity in healthy human assessed as occurrence of fatigue at 25 mg, po administered as single dose relative to control | ChEMBL. | 18824608 |
| Activity (ADMET) | = 0 % | Toxicity in healthy human assessed as occurrence of fatigue at 5 mg, po administered as single dose relative to control | ChEMBL. | 18824608 |
| Activity (ADMET) | = 0 % | Toxicity in healthy human assessed as occurrence of abdominal pain at 1 mg, po administered as single dose relative to control | ChEMBL. | 18824608 |
| Activity (ADMET) | = 0 % | Toxicity in healthy human assessed as occurrence of abdominal pain at 5 mg, po administered as single dose relative to control | ChEMBL. | 18824608 |
| Activity (ADMET) | = 0 % | Toxicity in healthy human assessed as occurrence of abdominal pain at 12.5 mg, po administered as single dose relative to control | ChEMBL. | 18824608 |
| Activity (ADMET) | = 0 % | Toxicity in healthy human assessed as occurrence of abdominal pain at 50 mg, po administered as single dose relative to control | ChEMBL. | 18824608 |
| Activity (ADMET) | = 0 % | Toxicity in healthy human assessed as occurrence of abdominal pain at 100 mg, po administered as single dose relative to control | ChEMBL. | 18824608 |
| Activity (ADMET) | = 8.3 % | Toxicity in healthy human assessed as occurrence of diarrhea at 100 mg, po administered as single dose | ChEMBL. | 18824608 |
| Activity (ADMET) | = 14.3 % | Toxicity in healthy human assessed as occurrence of aphthous stomatitis at 5 mg, po administered as single dose coadministered with 100 mg of ritonavir | ChEMBL. | 18824608 |
| Activity (ADMET) | = 16.7 % | Toxicity in healthy human assessed as occurrence of maculopapular rash at 87.5 mg, po administered as single dose coadministered with 100 mg of ritonavir | ChEMBL. | 18824608 |
| Activity (ADMET) | = 16.7 % | Toxicity in healthy human assessed as occurrence of maculopapular rash at 37.5 mg, po administered as single dose coadministered with 100 mg of ritonavir | ChEMBL. | 18824608 |
| Activity (ADMET) | = 16.7 % | Toxicity in healthy human assessed as occurrence of maculopapular rash at 25 mg, po administered as single dose coadministered with 100 mg of ritonavir | ChEMBL. | 18824608 |
| Activity (ADMET) | = 16.7 % | Toxicity in high fat fed healthy human assessed as occurrence of fatigue at 50 mg, po administered as single dose coadministered with 100 mg of ritonavir | ChEMBL. | 18824608 |
| Activity (ADMET) | = 16.7 % | Toxicity in healthy human assessed as occurrence of diarrhea at 87.5 mg, po administered as single dose coadministered with 100 mg of ritonavir | ChEMBL. | 18824608 |
| Activity (ADMET) | = 16.7 % | Toxicity in healthy human assessed as occurrence of aphthous stomatitis at 25 mg, po administered as single dose coadministered with 100 mg of ritonavir | ChEMBL. | 18824608 |
| Activity (ADMET) | = 16.7 % | Toxicity in healthy human assessed as occurrence of frequent bowel movements at 75 mg, po administered as single dose relative to control | ChEMBL. | 18824608 |
| Activity (ADMET) | = 16.7 % | Toxicity in healthy human assessed as occurrence of herpes simplex at 5 mg, po administered as single dose relative to control | ChEMBL. | 18824608 |
| Activity (ADMET) | = 16.7 % | Toxicity in healthy human assessed as occurrence of palpitations at 75 mg, po administered as single dose relative to control | ChEMBL. | 18824608 |
| Activity (ADMET) | = 16.7 % | Toxicity in healthy human assessed as occurrence of flatulence at 75 mg, po administered as single dose relative to control | ChEMBL. | 18824608 |
| Activity (ADMET) | = 16.7 % | Toxicity in healthy human assessed as occurrence of neurological eyelid disorder at 75 mg, po administered as single dose relative to control | ChEMBL. | 18824608 |
| Activity (ADMET) | = 16.7 % | Toxicity in healthy human assessed as occurrence of constipation at 25 mg, po administered as single dose relative to control | ChEMBL. | 18824608 |
| Activity (ADMET) | = 16.7 % | Toxicity in healthy human assessed as occurrence of maculopapular rash at 25 mg, po administered as single dose relative to control | ChEMBL. | 18824608 |
| Activity (ADMET) | = 16.7 % | Toxicity in healthy human assessed as occurrence of increase in alanine aminotransferase level at 5 mg, po administered as single dose relative to control | ChEMBL. | 18824608 |
| Activity (ADMET) | = 16.7 % | Toxicity in healthy human assessed as occurrence of headache at 50 mg, po administered as single dose relative to control | ChEMBL. | 18824608 |
| Activity (ADMET) | = 16.7 % | Toxicity in healthy human assessed as occurrence of headache at 25 mg, po administered as single dose relative to control | ChEMBL. | 18824608 |
| Activity (ADMET) | = 16.7 % | Toxicity in healthy human assessed as occurrence of fatigue at 75 mg, po administered as single dose relative to control | ChEMBL. | 18824608 |
| Activity (ADMET) | = 16.7 % | Toxicity in healthy human assessed as occurrence of fatigue at 50 mg, po administered as single dose relative to control | ChEMBL. | 18824608 |
| Activity (ADMET) | = 16.7 % | Toxicity in healthy human assessed as occurrence of fatigue at 1 mg, po administered as single dose relative to control | ChEMBL. | 18824608 |
| Activity (ADMET) | = 16.7 % | Toxicity in healthy human assessed as occurrence of abdominal pain at 25 mg, po administered as single dose relative to control | ChEMBL. | 18824608 |
| Activity (ADMET) | = 16.7 % | Toxicity in healthy human assessed as occurrence of abdominal pain at 75 mg, po administered as single dose relative to control | ChEMBL. | 18824608 |
| Activity (ADMET) | = 20 % | Toxicity in healthy human assessed as occurrence of fatigue at 100 mg, po administered as single dose relative to control | ChEMBL. | 18824608 |
| Activity (ADMET) | = 20 % | Toxicity in healthy human assessed as occurrence of fatigue at 12.5 mg, po administered as single dose relative to control | ChEMBL. | 18824608 |
| AUC (ADMET) | = 13.6 ng.hr/ml | AUC (0 to last) in healthy human at 5 mg, po administered as single dose | ChEMBL. | 18824608 |
| AUC (ADMET) | = 36.3 ng.hr/ml | AUC (0 to infinity) in healthy human at 5 mg, po administered as single dose | ChEMBL. | 18824608 |
| AUC (ADMET) | = 56.2 ng.hr/ml | AUC (0 to last) in healthy human at 12.5 mg, po administered as single dose | ChEMBL. | 18824608 |
| AUC (ADMET) | = 71.8 ng.hr/ml | AUC (0 to infinity) in healthy human at 12.5 mg, po administered as single dose | ChEMBL. | 18824608 |
| AUC (ADMET) | = 128 ng.hr/ml | AUC (0 to last) in healthy human at 25 mg, po administered as single dose | ChEMBL. | 18824608 |
| AUC (ADMET) | = 142 ng.hr/ml | AUC (0 to infinity) in healthy human at 25 mg, po administered as single dose | ChEMBL. | 18824608 |
| AUC (ADMET) | = 406 ng.hr/ml | AUC (0 to last) in healthy human at 50 mg, po administered as single dose | ChEMBL. | 18824608 |
| AUC (ADMET) | = 419 ng.hr/ml | AUC (0 to infinity) in healthy human at 50 mg, po administered as single dose | ChEMBL. | 18824608 |
| AUC (ADMET) | = 615 ng.hr/ml | AUC (0 to last) in healthy human at 5 mg, po administered as single dose coadministered with 100 mg of ritonavir | ChEMBL. | 18824608 |
| AUC (ADMET) | = 707 ng.hr/ml | AUC (0 to infinity) in healthy human at 5 mg, po administered as single dose coadministered with 100 mg of ritonavir | ChEMBL. | 18824608 |
| AUC (ADMET) | = 763 ng.hr/ml | AUC (0 to last) in healthy human at 75 mg, po administered as single dose | ChEMBL. | 18824608 |
| AUC (ADMET) | = 779 ng.hr/ml | AUC (0 to infinity) in healthy human at 75 mg, po administered as single dose | ChEMBL. | 18824608 |
| AUC (ADMET) | = 1300 ng.hr/ml | AUC (0 to last) in healthy human at 100 mg, po administered as single dose | ChEMBL. | 18824608 |
| AUC (ADMET) | = 1310 ng.hr/ml | AUC (0 to infinity) in healthy human at 100 mg, po administered as single dose | ChEMBL. | 18824608 |
| AUC (ADMET) | = 1680 ng.hr/ml | AUC (0 to last) in healthy human at 12.5 mg, po administered as single dose coadministered with 100 mg of ritonavir | ChEMBL. | 18824608 |
| AUC (ADMET) | = 1960 ng.hr/ml | AUC (0 to infinity) in healthy human at 12.5 mg, po administered as single dose coadministered with 100 mg of ritonavir | ChEMBL. | 18824608 |
| AUC (ADMET) | = 4140 ng.hr/ml | AUC (0 to last) in healthy human at 25 mg, po administered as single dose coadministered with 100 mg of ritonavir | ChEMBL. | 18824608 |
| AUC (ADMET) | = 4340 ng.hr/ml | AUC (0 to infinity) in healthy human at 25 mg, po administered as single dose coadministered with 100 mg of ritonavir | ChEMBL. | 18824608 |
| AUC (ADMET) | = 5800 ng.hr/ml | AUC (0 to last) in healthy human at 37.5 mg, po administered as single dose coadministered with 100 mg of ritonavir | ChEMBL. | 18824608 |
| AUC (ADMET) | = 5960 ng.hr/ml | AUC (0 to infinity) in healthy human at 37.5 mg, po administered as single dose coadministered with 100 mg of ritonavir | ChEMBL. | 18824608 |
| AUC (ADMET) | = 6540 ng.hr/ml | AUC (0 to last) in healthy human at 50 mg, po administered as single dose coadministered with 100 mg of ritonavir | ChEMBL. | 18824608 |
| AUC (ADMET) | = 6800 ng.hr/ml | AUC (0 to infinity) in healthy human at 50 mg, po administered as single dose coadministered with 100 mg of ritonavir | ChEMBL. | 18824608 |
| AUC (ADMET) | = 7480 ng.hr/ml | AUC (0 to last) in healthy human at 62.5 mg, po administered as single dose coadministered with 100 mg of ritonavir | ChEMBL. | 18824608 |
| AUC (ADMET) | = 7630 ng.hr/ml | AUC (0 to infinity) in healthy human at 62.5 mg, po administered as single dose coadministered with 100 mg of ritonavir | ChEMBL. | 18824608 |
| AUC (ADMET) | = 7970 ng.hr/ml | AUC (0 to last) in high fat fed healthy human at 50 mg, po administered as single dose coadministered with 100 mg of ritonavir | ChEMBL. | 18824608 |
| AUC (ADMET) | = 8300 ng.hr/ml | AUC (0 to infinity) in high fat fed healthy human at 50 mg, po administered as single dose coadministered with 100 mg of ritonavir | ChEMBL. | 18824608 |
| AUC (ADMET) | = 11700 ng.hr/ml | AUC (0 to last) in healthy human at 87.5 mg, po administered as single dose coadministered with 100 mg of ritonavir | ChEMBL. | 18824608 |
| AUC (ADMET) | = 11800 ng.hr/ml | AUC (0 to infinity) in healthy human at 87.5 mg, po administered as single dose coadministered with 100 mg of ritonavir | ChEMBL. | 18824608 |
| AUC (ADMET) | = 12100 ng.hr/ml | AUC (0 to last) in healthy human at 75 mg, po administered as single dose coadministered with 100 mg of ritonavir | ChEMBL. | 18824608 |
| AUC (ADMET) | = 12300 ng.hr/ml | AUC (0 to infinity) in healthy human at 75 mg, po administered as single dose coadministered with 100 mg of ritonavir | ChEMBL. | 18824608 |
| CL/F (ADMET) | = 5.88 L/hr | Apparent oral clearance in healthy human at 25 mg, po administered as single dose coadministered with 100 mg of ritonavir | ChEMBL. | 18824608 |
| CL/F (ADMET) | = 6.26 L/hr | Apparent oral clearance in high fat fed healthy human at 50 mg, po administered as single dose coadministered with 100 mg of ritonavir | ChEMBL. | 18824608 |
| CL/F (ADMET) | = 6.35 L/hr | Apparent oral clearance in healthy human at 75 mg, po administered as single dose coadministered with 100 mg of ritonavir | ChEMBL. | 18824608 |
| CL/F (ADMET) | = 6.52 L/hr | Apparent oral clearance in healthy human at 37.5 mg, po administered as single dose coadministered with 100 mg of ritonavir | ChEMBL. | 18824608 |
| CL/F (ADMET) | = 6.7 L/hr | Apparent oral clearance in healthy human at 12.5 mg, po administered as single dose coadministered with 100 mg of ritonavir | ChEMBL. | 18824608 |
| CL/F (ADMET) | = 7.33 L/hr | Apparent oral clearance in healthy human at 5 mg, po administered as single dose coadministered with 100 mg of ritonavir | ChEMBL. | 18824608 |
| CL/F (ADMET) | = 7.84 L/hr | Apparent oral clearance in healthy human at 50 mg, po administered as single dose coadministered with 100 mg of ritonavir | ChEMBL. | 18824608 |
| CL/F (ADMET) | = 8.28 L/hr | Apparent oral clearance in healthy human at 87.5 mg, po administered as single dose coadministered with 100 mg of ritonavir | ChEMBL. | 18824608 |
| CL/F (ADMET) | = 8.47 L/hr | Apparent oral clearance in healthy human at 62.5 mg, po administered as single dose coadministered with 100 mg of ritonavir | ChEMBL. | 18824608 |
| CL/F (ADMET) | = 79.2 L/hr | Apparent oral clearance in healthy human at 100 mg, po administered as single dose | ChEMBL. | 18824608 |
| CL/F (ADMET) | = 129 L/hr | Apparent oral clearance in healthy human at 50 mg, po administered as single dose | ChEMBL. | 18824608 |
| CL/F (ADMET) | = 149 L/hr | Apparent oral clearance in healthy human at 5 mg, po administered as single dose | ChEMBL. | 18824608 |
| CL/F (ADMET) | = 204 L/hr | Apparent oral clearance in healthy human at 25 mg, po administered as single dose | ChEMBL. | 18824608 |
| CL/F (ADMET) | = 246 L/hr | Apparent oral clearance in healthy human at 12.5 mg, po administered as single dose | ChEMBL. | 18824608 |
| CL/F (ADMET) | = 272 L/hr | Apparent oral clearance in healthy human at 75 mg, po administered as single dose | ChEMBL. | 18824608 |
| CL_renal (ADMET) | = 0.271 L/hr | Renal clearance in healthy human at 5 mg, po administered as single dose by high-pressure liquid chromatography-tandem mass spectrometry/mass spectrometry method | ChEMBL. | 18824608 |
| CL_renal (ADMET) | = 0.292 L/hr | Renal clearance in healthy human at 50 mg, po administered as single dose coadministered with 100 mg of ritonavir by high-pressure liquid chromatography-tandem mass spectrometry/mass spectrometry method | ChEMBL. | 18824608 |
| CL_renal (ADMET) | = 0.295 L/hr | Renal clearance in healthy human at 37.5 mg, po administered as single dose coadministered with 100 mg of ritonavir by high-pressure liquid chromatography-tandem mass spectrometry/mass spectrometry method | ChEMBL. | 18824608 |
| CL_renal (ADMET) | = 0.299 L/hr | Renal clearance in high fat fed healthy human at 50 mg, po administered as single dose coadministered with 100 mg of ritonavir by high-pressure liquid chromatography-tandem mass spectrometry/mass spectrometry method | ChEMBL. | 18824608 |
| CL_renal (ADMET) | = 0.351 L/hr | Renal clearance in healthy human at 75 mg, po administered as single dose coadministered with 100 mg of ritonavir by high-pressure liquid chromatography-tandem mass spectrometry/mass spectrometry method | ChEMBL. | 18824608 |
| CL_renal (ADMET) | = 0.362 L/hr | Renal clearance in healthy human at 5 mg, po administered as single dose coadministered with 100 mg of ritonavir by high-pressure liquid chromatography-tandem mass spectrometry/mass spectrometry method | ChEMBL. | 18824608 |
| CL_renal (ADMET) | = 0.39 L/hr | Renal clearance in healthy human at 25 mg, po administered as single dose coadministered with 100 mg of ritonavir by high-pressure liquid chromatography-tandem mass spectrometry/mass spectrometry method | ChEMBL. | 18824608 |
| CL_renal (ADMET) | = 0.411 L/hr | Renal clearance in healthy human at 12.5 mg, po administered as single dose by high-pressure liquid chromatography-tandem mass spectrometry/mass spectrometry method | ChEMBL. | 18824608 |
| CL_renal (ADMET) | = 0.43 L/hr | Renal clearance in healthy human at 62.5 mg, po administered as single dose coadministered with 100 mg of ritonavir by high-pressure liquid chromatography-tandem mass spectrometry/mass spectrometry method | ChEMBL. | 18824608 |
| CL_renal (ADMET) | = 0.438 L/hr | Renal clearance in healthy human at 12.5 mg, po administered as single dose coadministered with 100 mg of ritonavir by high-pressure liquid chromatography-tandem mass spectrometry/mass spectrometry method | ChEMBL. | 18824608 |
| CL_renal (ADMET) | = 0.492 L/hr | Renal clearance in healthy human at 87.5 mg, po administered as single dose coadministered with 100 mg of ritonavir by high-pressure liquid chromatography-tandem mass spectrometry/mass spectrometry method | ChEMBL. | 18824608 |
| CL_renal (ADMET) | = 0.549 L/hr | Renal clearance in healthy human at 50 mg, po administered as single dose by high-pressure liquid chromatography-tandem mass spectrometry/mass spectrometry method | ChEMBL. | 18824608 |
| CL_renal (ADMET) | = 0.591 L/hr | Renal clearance in healthy human at 100 mg, po administered as single dose by high-pressure liquid chromatography-tandem mass spectrometry/mass spectrometry method | ChEMBL. | 18824608 |
| CL_renal (ADMET) | = 0.615 L/hr | Renal clearance in healthy human at 75 mg, po administered as single dose by high-pressure liquid chromatography-tandem mass spectrometry/mass spectrometry method | ChEMBL. | 18824608 |
| CL_renal (ADMET) | = 0.688 L/hr | Renal clearance in healthy human at 25 mg, po administered as single dose by high-pressure liquid chromatography-tandem mass spectrometry/mass spectrometry method | ChEMBL. | 18824608 |
| Cmax (ADMET) | = 4.36 ng/ml | Cmax in healthy human at 5 mg, po administered as single dose by high-pressure liquid chromatography-tandem mass spectrometry/mass spectrometry method | ChEMBL. | 18824608 |
| Cmax (ADMET) | = 14.8 ng/ml | Cmax in healthy human at 12.5 mg, po administered as single dose by high-pressure liquid chromatography-tandem mass spectrometry/mass spectrometry method | ChEMBL. | 18824608 |
| Cmax (ADMET) | = 25.3 ng/ml | Cmax in healthy human at 5 mg, po administered as single dose coadministered with 100 mg of ritonavir by high-pressure liquid chromatography-tandem mass spectrometry/mass spectrometry method | ChEMBL. | 18824608 |
| Cmax (ADMET) | = 41.6 ng/ml | Cmax in healthy human at 25 mg, po administered as single dose by high-pressure liquid chromatography-tandem mass spectrometry/mass spectrometry method | ChEMBL. | 18824608 |
| Cmax (ADMET) | = 74.1 ng/ml | Cmax in healthy human at 12.5 mg, po administered as single dose coadministered with 100 mg of ritonavir by high-pressure liquid chromatography-tandem mass spectrometry/mass spectrometry method | ChEMBL. | 18824608 |
| Cmax (ADMET) | = 164 ng/ml | Cmax in healthy human at 50 mg, po administered as single dose by high-pressure liquid chromatography-tandem mass spectrometry/mass spectrometry method | ChEMBL. | 18824608 |
| Cmax (ADMET) | = 226 ng/ml | Cmax in healthy human at 25 mg, po administered as single dose coadministered with 100 mg of ritonavir by high-pressure liquid chromatography-tandem mass spectrometry/mass spectrometry method | ChEMBL. | 18824608 |
| Cmax (ADMET) | = 344 ng/ml | Cmax in healthy human at 37.5 mg, po administered as single dose coadministered with 100 mg of ritonavir by high-pressure liquid chromatography-tandem mass spectrometry/mass spectrometry method | ChEMBL. | 18824608 |
| Cmax (ADMET) | = 348 ng/ml | Cmax in healthy human at 75 mg, po administered as single dose by high-pressure liquid chromatography-tandem mass spectrometry/mass spectrometry method | ChEMBL. | 18824608 |
| Cmax (ADMET) | = 430 ng/ml | Cmax in high fat fed healthy human at 50 mg, po administered as single dose coadministered with 100 mg of ritonavir by high-pressure liquid chromatography-tandem mass spectrometry/mass spectrometry method | ChEMBL. | 18824608 |
| Cmax (ADMET) | = 468 ng/ml | Cmax in healthy human at 50 mg, po administered as single dose coadministered with 100 mg of ritonavir by high-pressure liquid chromatography-tandem mass spectrometry/mass spectrometry method | ChEMBL. | 18824608 |
| Cmax (ADMET) | = 653 ng/ml | Cmax in healthy human at 62.5 mg, po administered as single dose coadministered with 100 mg of ritonavir by high-pressure liquid chromatography-tandem mass spectrometry/mass spectrometry method | ChEMBL. | 18824608 |
| Cmax (ADMET) | = 812 ng/ml | Cmax in healthy human at 75 mg, po administered as single dose coadministered with 100 mg of ritonavir by high-pressure liquid chromatography-tandem mass spectrometry/mass spectrometry method | ChEMBL. | 18824608 |
| Cmax (ADMET) | = 838 ng/ml | Cmax in healthy human at 87.5 mg, po administered as single dose coadministered with 100 mg of ritonavir by high-pressure liquid chromatography-tandem mass spectrometry/mass spectrometry method | ChEMBL. | 18824608 |
| Cmax (ADMET) | = 937 ng/ml | Cmax in healthy human at 100 mg, po administered as single dose by high-pressure liquid chromatography-tandem mass spectrometry/mass spectrometry method | ChEMBL. | 18824608 |
| Drug metabolism (ADMET) | = 0.15 uM | Activity at recombinant CYP3A4 (unknown origin) expressed in baculovirus-infected insect cells treated with 1 uM BILR402 assessed as enzyme-mediated compound formation after 4 mins by LC-MS/MS analysis in presence of NADPH | ChEMBL. | 22393121 |
| Drug metabolism (ADMET) | = 0.9 uM | Activity at recombinant CYP3A4 (unknown origin) expressed in baculovirus-infected insect cells treated with 1 uM BILR402 assessed as enzyme-mediated compound formation at 10 uM after 4 mins by LC-MS/MS analysis in presence of NADPH | ChEMBL. | 22393121 |
| IC50 (binding) | = 17 nM | Inhibition of HIV reverse transcriptase | ChEMBL. | 25127466 |
| Km (ADMET) | = 377.2 ng/ml | Activity of human CYP3A4 | ChEMBL. | 18824608 |
| MRT (ADMET) | = 2.23 hr | Mean residence time in healthy human at 100 mg, po administered as single dose | ChEMBL. | 18824608 |
| MRT (ADMET) | = 2.95 hr | Mean residence time in healthy human at 75 mg, po administered as single dose | ChEMBL. | 18824608 |
| MRT (ADMET) | = 3.2 hr | Mean residence time in healthy human at 50 mg, po administered as single dose | ChEMBL. | 18824608 |
| MRT (ADMET) | = 4.52 hr | Mean residence time in healthy human at 25 mg, po administered as single dose | ChEMBL. | 18824608 |
| MRT (ADMET) | = 6.12 hr | Mean residence time in healthy human at 12.5 mg, po administered as single dose | ChEMBL. | 18824608 |
| MRT (ADMET) | = 7.74 hr | Mean residence time in healthy human at 5 mg, po administered as single dose | ChEMBL. | 18824608 |
| MRT (ADMET) | = 14 hr | Mean residence time in healthy human at 62.5 mg, po administered as single dose coadministered with 100 mg of ritonavir | ChEMBL. | 18824608 |
| MRT (ADMET) | = 14.6 hr | Mean residence time in healthy human at 87.5 mg, po administered as single dose coadministered with 100 mg of ritonavir | ChEMBL. | 18824608 |
| MRT (ADMET) | = 16.7 hr | Mean residence time in healthy human at 50 mg, po administered as single dose coadministered with 100 mg of ritonavir | ChEMBL. | 18824608 |
| MRT (ADMET) | = 16.9 hr | Mean residence time in healthy human at 37.5 mg, po administered as single dose coadministered with 100 mg of ritonavir | ChEMBL. | 18824608 |
| MRT (ADMET) | = 17.4 hr | Mean residence time in healthy human at 75 mg, po administered as single dose coadministered with 100 mg of ritonavir | ChEMBL. | 18824608 |
| MRT (ADMET) | = 18.1 hr | Mean residence time in healthy human at 25 mg, po administered as single dose coadministered with 100 mg of ritonavir | ChEMBL. | 18824608 |
| MRT (ADMET) | = 18.7 hr | Mean residence time in high fat fed healthy human at 50 mg, po administered as single dose coadministered with 100 mg of ritonavir | ChEMBL. | 18824608 |
| MRT (ADMET) | = 24.8 hr | Mean residence time in healthy human at 12.5 mg, po administered as single dose coadministered with 100 mg of ritonavir | ChEMBL. | 18824608 |
| MRT (ADMET) | = 24.8 hr | Mean residence time in healthy human at 5 mg, po administered as single dose coadministered with 100 mg of ritonavir | ChEMBL. | 18824608 |
| T1/2 (ADMET) | = 1.86 hr | Half life in healthy human at 100 mg, po administered as single dose | ChEMBL. | 18824608 |
| T1/2 (ADMET) | = 2.21 hr | Half life in healthy human at 75 mg, po administered as single dose | ChEMBL. | 18824608 |
| T1/2 (ADMET) | = 2.5 hr | Half life in healthy human at 50 mg, po administered as single dose | ChEMBL. | 18824608 |
| T1/2 (ADMET) | = 3.44 hr | Half life in healthy human at 25 mg, po administered as single dose | ChEMBL. | 18824608 |
| T1/2 (ADMET) | = 4.1 hr | Half life in healthy human at 12.5 mg, po administered as single dose | ChEMBL. | 18824608 |
| T1/2 (ADMET) | = 5.02 hr | Half life in healthy human at 5 mg, po administered as single dose | ChEMBL. | 18824608 |
| T1/2 (ADMET) | = 9.61 hr | Half life in healthy human at 87.5 mg, po administered as single dose coadministered with 100 mg of ritonavir | ChEMBL. | 18824608 |
| T1/2 (ADMET) | = 9.73 hr | Half life in healthy human at 62.5 mg, po administered as single dose coadministered with 100 mg of ritonavir | ChEMBL. | 18824608 |
| T1/2 (ADMET) | = 11 hr | Half life in high fat fed healthy human at 50 mg, po administered as single dose coadministered with 100 mg of ritonavir | ChEMBL. | 18824608 |
| T1/2 (ADMET) | = 11 hr | Half life in healthy human at 37.5 mg, po administered as single dose coadministered with 100 mg of ritonavir | ChEMBL. | 18824608 |
| T1/2 (ADMET) | = 11.5 hr | Half life in healthy human at 50 mg, po administered as single dose coadministered with 100 mg of ritonavir | ChEMBL. | 18824608 |
| T1/2 (ADMET) | = 11.5 hr | Half life in healthy human at 25 mg, po administered as single dose coadministered with 100 mg of ritonavir | ChEMBL. | 18824608 |
| T1/2 (ADMET) | = 11.9 hr | Half life in healthy human at 75 mg, po administered as single dose coadministered with 100 mg of ritonavir | ChEMBL. | 18824608 |
| T1/2 (ADMET) | = 14.7 hr | Half life in healthy human at 5 mg, po administered as single dose coadministered with 100 mg of ritonavir | ChEMBL. | 18824608 |
| T1/2 (ADMET) | = 15.9 hr | Half life in healthy human at 12.5 mg, po administered as single dose coadministered with 100 mg of ritonavir | ChEMBL. | 18824608 |
| Tmax (ADMET) | = 0.55 hr | Tmax in healthy human at 100 mg, po administered as single dose | ChEMBL. | 18824608 |
| Tmax (ADMET) | = 0.667 hr | Tmax in healthy human at 75 mg, po administered as single dose | ChEMBL. | 18824608 |
| Tmax (ADMET) | = 0.667 hr | Tmax in healthy human at 50 mg, po administered as single dose | ChEMBL. | 18824608 |
| Tmax (ADMET) | = 0.7 hr | Tmax in healthy human at 62.5 mg, po administered as single dose coadministered with 100 mg of ritonavir | ChEMBL. | 18824608 |
| Tmax (ADMET) | = 0.833 hr | Tmax in healthy human at 25 mg, po administered as single dose | ChEMBL. | 18824608 |
| Tmax (ADMET) | = 0.958 hr | Tmax in healthy human at 50 mg, po administered as single dose coadministered with 100 mg of ritonavir | ChEMBL. | 18824608 |
| Tmax (ADMET) | = 1 hr | Tmax in healthy human at 12.5 mg, po administered as single dose | ChEMBL. | 18824608 |
| Tmax (ADMET) | = 1.5 hr | Tmax in healthy human at 87.5 mg, po administered as single dose coadministered with 100 mg of ritonavir | ChEMBL. | 18824608 |
| Tmax (ADMET) | = 1.5 hr | Tmax in healthy human at 37.5 mg, po administered as single dose coadministered with 100 mg of ritonavir | ChEMBL. | 18824608 |
| Tmax (ADMET) | = 1.5 hr | Tmax in healthy human at 5 mg, po administered as single dose | ChEMBL. | 18824608 |
| Tmax (ADMET) | = 1.63 hr | Tmax in healthy human at 75 mg, po administered as single dose coadministered with 100 mg of ritonavir | ChEMBL. | 18824608 |
| Tmax (ADMET) | = 1.75 hr | Tmax in healthy human at 25 mg, po administered as single dose coadministered with 100 mg of ritonavir | ChEMBL. | 18824608 |
| Tmax (ADMET) | = 3.59 hr | Tmax in healthy human at 12.5 mg, po administered as single dose coadministered with 100 mg of ritonavir | ChEMBL. | 18824608 |
| Tmax (ADMET) | = 5.71 hr | Tmax in healthy human at 5 mg, po administered as single dose coadministered with 100 mg of ritonavir | ChEMBL. | 18824608 |
| Tmax (ADMET) | = 6 hr | Tmax in high fat fed healthy human at 50 mg, po administered as single dose coadministered with 100 mg of ritonavir | ChEMBL. | 18824608 |
| Vss/F (ADMET) | = 81.4 l | Apparent volume of distribution at steady state in high fat fed healthy human at 50 mg, po administered as single dose coadministered with 100 mg of ritonavir | ChEMBL. | 18824608 |
| Vss/F (ADMET) | = 102 l | Apparent volume of distribution at steady state in healthy human at 25 mg, po administered as single dose coadministered with 100 mg of ritonavir | ChEMBL. | 18824608 |
| Vss/F (ADMET) | = 105 l | Apparent volume of distribution at steady state in healthy human at 37.5 mg, po administered as single dose coadministered with 100 mg of ritonavir | ChEMBL. | 18824608 |
| Vss/F (ADMET) | = 105 l | Apparent volume of distribution at steady state in healthy human at 75 mg, po administered as single dose coadministered with 100 mg of ritonavir | ChEMBL. | 18824608 |
| Vss/F (ADMET) | = 112 l | Apparent volume of distribution at steady state in healthy human at 87.5 mg, po administered as single dose coadministered with 100 mg of ritonavir | ChEMBL. | 18824608 |
| Vss/F (ADMET) | = 113 l | Apparent volume of distribution at steady state in healthy human at 62.5 mg, po administered as single dose coadministered with 100 mg of ritonavir | ChEMBL. | 18824608 |
| Vss/F (ADMET) | = 125 l | Apparent volume of distribution at steady state in healthy human at 50 mg, po administered as single dose coadministered with 100 mg of ritonavir | ChEMBL. | 18824608 |
| Vss/F (ADMET) | = 153 l | Apparent volume of distribution at steady state in healthy human at 12.5 mg, po administered as single dose coadministered with 100 mg of ritonavir | ChEMBL. | 18824608 |
| Vss/F (ADMET) | = 163 l | Apparent volume of distribution at steady state in healthy human at 100 mg, po administered as single dose | ChEMBL. | 18824608 |
| Vss/F (ADMET) | = 166 l | Apparent volume of distribution at steady state in healthy human at 5 mg, po administered as single dose coadministered with 100 mg of ritonavir | ChEMBL. | 18824608 |
| Vss/F (ADMET) | = 390 l | Apparent volume of distribution at steady state in healthy human at 50 mg, po administered as single dose | ChEMBL. | 18824608 |
| Vss/F (ADMET) | = 608 l | Apparent volume of distribution at steady state in healthy human at 75 mg, po administered as single dose | ChEMBL. | 18824608 |
| Vss/F (ADMET) | = 914 l | Apparent volume of distribution at steady state in healthy human at 25 mg, po administered as single dose | ChEMBL. | 18824608 |
| Vss/F (ADMET) | = 1020 l | Apparent volume of distribution at steady state in healthy human at 5 mg, po administered as single dose | ChEMBL. | 18824608 |
| Vss/F (ADMET) | = 1460 l | Apparent volume of distribution at steady state in healthy human at 12.5 mg, po administered as single dose | ChEMBL. | 18824608 |
| Vz/F (ADMET) | = 97.6 l | Apparent volume of distribution in terminal phase in healthy human at 25 mg, po administered as single dose coadministered with 100 mg of ritonavir | ChEMBL. | 18824608 |
| Vz/F (ADMET) | = 100 l | Apparent volume of distribution in terminal phase in high fat fed healthy human at 50 mg, po administered as single dose coadministered with 100 mg of ritonavir | ChEMBL. | 18824608 |
| Vz/F (ADMET) | = 104 l | Apparent volume of distribution in terminal phase in healthy human at 37.5 mg, po administered as single dose coadministered with 100 mg of ritonavir | ChEMBL. | 18824608 |
| Vz/F (ADMET) | = 108 l | Apparent volume of distribution in terminal phase in healthy human at 75 mg, po administered as single dose coadministered with 100 mg of ritonavir | ChEMBL. | 18824608 |
| Vz/F (ADMET) | = 114 l | Apparent volume of distribution in terminal phase in healthy human at 87.5 mg, po administered as single dose coadministered with 100 mg of ritonavir | ChEMBL. | 18824608 |
| Vz/F (ADMET) | = 118 l | Apparent volume of distribution in terminal phase in healthy human at 62.5 mg, po administered as single dose coadministered with 100 mg of ritonavir | ChEMBL. | 18824608 |
| Vz/F (ADMET) | = 129 l | Apparent volume of distribution in terminal phase in healthy human at 50 mg, po administered as single dose coadministered with 100 mg of ritonavir | ChEMBL. | 18824608 |
| Vz/F (ADMET) | = 149 l | Apparent volume of distribution in terminal phase in healthy human at 12.5 mg, po administered as single dose coadministered with 100 mg of ritonavir | ChEMBL. | 18824608 |
| Vz/F (ADMET) | = 153 l | Apparent volume of distribution in terminal phase in healthy human at 5 mg, po administered as single dose coadministered with 100 mg of ritonavir | ChEMBL. | 18824608 |
| Vz/F (ADMET) | = 213 l | Apparent volume of distribution in terminal phase in healthy human at 100 mg, po administered as single dose | ChEMBL. | 18824608 |
| Vz/F (ADMET) | = 460 l | Apparent volume of distribution in terminal phase in healthy human at 50 mg, po administered as single dose | ChEMBL. | 18824608 |
| Vz/F (ADMET) | = 832 l | Apparent volume of distribution in terminal phase in healthy human at 75 mg, po administered as single dose | ChEMBL. | 18824608 |
| Vz/F (ADMET) | = 956 l | Apparent volume of distribution in terminal phase in healthy human at 5 mg, po administered as single dose | ChEMBL. | 18824608 |
| Vz/F (ADMET) | = 1040 l | Apparent volume of distribution in terminal phase in healthy human at 25 mg, po administered as single dose | ChEMBL. | 18824608 |
| Vz/F (ADMET) | = 1430 l | Apparent volume of distribution in terminal phase in healthy human at 12.5 mg, po administered as single dose | ChEMBL. | 18824608 |
Phenotypes
Whole-cell/tissue/organism interactions
We have no records of whole-cell/tissue assays done with this compound
What does this mean?
Many chemical entities in TDR Targets come from high-throughput screenings with whole cells or tissue samples, and not all assayed compounds have been tested against a single a single target protein, probably because they get ruled out during screening process. Even if these compounds may have not been of interest in the original screening, they may come as interesting leads for other screening assays. Furthermore, we may be able to propose drug-target associations using chemical similarities and network patterns.
Annotated phenotypes:
We have no manually annotated phenotypes for this drug.
What does this mean? / Care to help?
In TDR Targets, information about phenotypes that are caused by
drugs, or by genetic manipulation of cells (e.g. gene knockouts or
knockdowns) is manually curated from the literature. These
descriptions help to describe the potential of the target for drug
development. If no information is available for this gene or if the
information is incomplete, this may mean that i) the papers
containing this information either appeared after the curation
effort for this organism was carried out or they were inadvertently
missed by curators; or that ii) the curation effort for this
organism has not yet started.
In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.
In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.
External resources for this compound
- ChEMBL: CHEMBL1630842
Bibliographic References
2 literature references were collected for this gene.
If you have references for this compound, please enter them in a user comment (below) or Contact us.