Detailed information for compound 1013648
Basic information
Technical information
- Name: Unnamed compound
- MW: 401.518 | Formula: C19H31NO6S
-
H donors: 0
H acceptors: 2
LogP: 2.39
Rotable bonds: 1
Rule of 5 violations (Lipinski): 1 - SMILES: C[C@H]1[C@@H](O[C@H]2[C@@]34[C@H]1CC[C@H]([C@@H]4CC[C@](O2)(OO3)C)C)N1CCS(=O)(=O)CC1
- InChi: 1S/C19H31NO6S/c1-12-4-5-15-13(2)16(20-8-10-27(21,22)11-9-20)23-17-19(15)14(12)6-7-18(3,24-17)25-26-19/h12-17H,4-11H2,1-3H3/t12-,13-,14+,15+,16-,17-,18-,19-/m1/s1
- InChiKey: FDMUNKXWYMSZIR-NQWKWHCYSA-N
Network
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Synonyms
No synonyms found for this compound
Targets
Known targets for this compound
No curated genes were found associated with this compound
Predicted pathogen targets for this compound
By orthology
No druggable targets predicted by orthology data
By sequence similarity to non orthologous known druggable targets
No druggable targets predicted by sequence similarity
Obtained from network model
Ranking Plot
Putative Targets List
| Species | Potential target | Raw | Global | Species |
|---|---|---|---|---|
| Entamoeba histolytica | glycylpeptide N-tetradecanoyltransferase, putative | 0.0189105 | 0.473724 | 1 |
| Trichomonas vaginalis | conserved hypothetical protein | 0.0327216 | 1 | 1 |
| Mycobacterium ulcerans | phosphotyrosine protein phosphatase PtpB | 0.0327216 | 1 | 0.5 |
| Schistosoma mansoni | CREB-binding protein 2 | 0.0137218 | 0.276007 | 0.192743 |
| Trichomonas vaginalis | N-myristoyl transferase, putative | 0.0189105 | 0.473724 | 0.319541 |
| Leishmania major | N-myristoyl transferase, putative | 0.0189105 | 0.473724 | 0.40449 |
| Trypanosoma brucei | N-myristoyl transferase, putative | 0.0189105 | 0.473724 | 0.5 |
| Schistosoma mansoni | N-myristoyltransferase | 0.0189105 | 0.473724 | 1 |
| Loa Loa (eye worm) | N-myristoyltransferase 2 | 0.0189105 | 0.473724 | 1 |
| Loa Loa (eye worm) | CBP-B | 0.00953467 | 0.116454 | 0.245827 |
| Trypanosoma cruzi | N-myristoyl transferase, putative | 0.0189105 | 0.473724 | 1 |
| Trypanosoma brucei | N-myristoyltransferase | 0.0189105 | 0.473724 | 0.5 |
| Giardia lamblia | CDC72 | 0.0189105 | 0.473724 | 0.5 |
| Loa Loa (eye worm) | hypothetical protein | 0.012483 | 0.2288 | 0.482981 |
| Plasmodium falciparum | glycylpeptide N-tetradecanoyltransferase | 0.0189105 | 0.473724 | 0.5 |
| Brugia malayi | N-myristoyltransferase 2 | 0.0189105 | 0.473724 | 1 |
| Plasmodium vivax | glycylpeptide N-tetradecanoyltransferase, putative | 0.0189105 | 0.473724 | 0.5 |
| Echinococcus granulosus | choline O acetyltransferase | 0.012483 | 0.2288 | 0.385992 |
| Echinococcus multilocularis | glycylpeptide N tetradecanoyltransferase | 0.0189105 | 0.473724 | 1 |
| Trypanosoma cruzi | N-myristoyl transferase, putative | 0.0189105 | 0.473724 | 1 |
| Brugia malayi | TAZ zinc finger family protein | 0.0137218 | 0.276007 | 0.192743 |
| Mycobacterium tuberculosis | Phosphotyrosine protein phosphatase PTPB (protein-tyrosine-phosphatase) (PTPase) | 0.0327216 | 1 | 0.5 |
| Echinococcus granulosus | glycylpeptide N tetradecanoyltransferase | 0.0189105 | 0.473724 | 1 |
| Echinococcus multilocularis | choline O acetyltransferase | 0.012483 | 0.2288 | 0.324098 |
| Schistosoma mansoni | CREB-binding protein 1 (SmCBP1) | 0.0137218 | 0.276007 | 0.192743 |
| Echinococcus granulosus | CREB binding protein | 0.0137218 | 0.276007 | 0.504338 |
| Loa Loa (eye worm) | choline O-acetyltransferase | 0.012483 | 0.2288 | 0.482981 |
| Leishmania major | phosphoinositide phosphatase | 0.0327216 | 1 | 1 |
Activities
| Activity type | Activity value | Assay description | Source | Reference |
|---|---|---|---|---|
| AUC (ADMET) | = 29.5 ng.hr/ml | AUC in healthy human plasma at 10 mg, po administered as single ascending doses as solution during 10 hrs overnight fasting state | ChEMBL. | 18559649 |
| AUC (ADMET) | = 65.7 ng.hr/ml | AUC in healthy human plasma at 20 mg, po administered as single ascending doses as solution during 10 hrs overnight fasting state | ChEMBL. | 18559649 |
| AUC (ADMET) | = 71.8 ng.hr/ml | AUC in healthy human plasma at 30 mg, po administered as single ascending doses as solution during 10 hrs overnight fasting state | ChEMBL. | 18559649 |
| AUC (ADMET) | = 118.3 ng.hr/ml | AUC in healthy human plasma at 40 mg, po administered as single ascending doses as solution during 10 hrs overnight fasting state | ChEMBL. | 18559649 |
| AUC (ADMET) | = 170.4 ng.hr/ml | AUC (normalized) in healthy human plasma at 30 mg, po administered as single ascending doses as solution during 10 hrs overnight fasting state | ChEMBL. | 18559649 |
| AUC (ADMET) | = 183.5 ng.hr/ml | AUC in healthy human plasma at 40 mg, po administered as two 20 mg immediate release tablets daily for 3 days during 10 hrs overnight fasting state measured after 1 day | ChEMBL. | 18559649 |
| AUC (ADMET) | = 190.7 ng.hr/ml | AUC in healthy human plasma at 40 mg, po administered as two 20 mg immediate release tablets daily for 3 days during 10 hrs overnight fasting state measured after 3 day | ChEMBL. | 18559649 |
| AUC (ADMET) | = 229.3 ng.hr/ml | AUC (normalized) in healthy human plasma at 40 mg, po administered as single ascending doses as solution during 10 hrs overnight fasting state | ChEMBL. | 18559649 |
| AUC (ADMET) | = 243.2 ng.hr/ml | AUC (normalized) in healthy human plasma at 10 mg, po administered as single ascending doses as solution during 10 hrs overnight fasting state | ChEMBL. | 18559649 |
| AUC (ADMET) | = 263.1 ng.hr/ml | AUC (normalized) in healthy human plasma at 20 mg, po administered as single ascending doses as solution during 10 hrs overnight fasting state | ChEMBL. | 18559649 |
| AUC (ADMET) | = 277.4 ng.hr/ml | AUC (normalized) in healthy human plasma at 80 mg, po administered as single immediate release tablets during 10 hrs overnight fasting state | ChEMBL. | 18559649 |
| AUC (ADMET) | = 281.6 ng.hr/ml | AUC in healthy human plasma at 80 mg, po administered as single immediate release tablets during 10 hrs overnight fasting state | ChEMBL. | 18559649 |
| AUC (ADMET) | = 324.2 ng.hr/ml | AUC (normalized) in healthy human plasma at 80 mg, po administered as four 20 mg immediate release tablets daily for 3 days during 10 hrs overnight fasting state measured after 3 day | ChEMBL. | 18559649 |
| AUC (ADMET) | = 328.8 ng.hr/ml | AUC (normalized) in healthy human plasma at 80 mg, po administered as four 20 mg immediate release tablets daily for 3 days during 10 hrs overnight fasting state measured after 1 day | ChEMBL. | 18559649 |
| AUC (ADMET) | = 337.3 ng.hr/ml | AUC in healthy human plasma at 80 mg, po administered as four 20 mg immediate release tablets daily for 3 days during 10 hrs overnight fasting state measured after 3 day | ChEMBL. | 18559649 |
| AUC (ADMET) | = 343.2 ng.hr/ml | AUC in healthy human plasma at 80 mg, po administered as four 20 mg immediate release tablets daily for 3 days during 10 hrs overnight fasting state measured after 1 day | ChEMBL. | 18559649 |
| AUC (ADMET) | = 376.8 ng.hr/ml | AUC (normalized) in healthy human plasma at 40 mg, po administered as two 20 mg immediate release tablets daily for 3 days during 10 hrs overnight fasting state measured after 1 day | ChEMBL. | 18559649 |
| AUC (ADMET) | = 392.5 ng.hr/ml | AUC (normalized) in healthy human plasma at 40 mg, po administered as two 20 mg immediate release tablets daily for 3 days during 10 hrs overnight fasting state measured after 3 day | ChEMBL. | 18559649 |
| CL/F (ADMET) | = 209.8 L/hr | Apparent oral clearance in healthy human at 40 mg, po administered as two 20 mg immediate release tablets daily for 3 days during 10 hrs overnight fasting state measured after 3 day | ChEMBL. | 18559649 |
| CL/F (ADMET) | = 217.9 L/hr | Apparent oral clearance in healthy human at 40 mg, po administered as two 20 mg immediate release tablets daily for 3 days during 10 hrs overnight fasting state measured after 1 day | ChEMBL. | 18559649 |
| CL/F (ADMET) | = 233.1 L/hr | Apparent oral clearance in healthy human at 80 mg, po administered as four 20 mg immediate release tablets daily for 3 days during 10 hrs overnight fasting state measured after 1 day | ChEMBL. | 18559649 |
| CL/F (ADMET) | = 237 L/hr | Apparent oral clearance in healthy human at 80 mg, po administered as four 20 mg immediate release tablets daily for 3 days during 10 hrs overnight fasting state measured after 3 day | ChEMBL. | 18559649 |
| CL/F (ADMET) | = 237.2 L/hr | Apparent oral clearance in healthy human at 80 mg, po administered as four 20 mg immediate release tablets daily for 3 days during 10 hrs overnight fasting state measured after 3 day | ChEMBL. | 18559649 |
| CL/F (ADMET) | = 284.1 L/hr | Apparent oral clearance in healthy human at 80 mg, po administered as single immediate release tablets during 10 hrs overnight fasting state | ChEMBL. | 18559649 |
| CL/F (ADMET) | = 304.5 L/hr | Apparent oral clearance in healthy human at 20 mg, po administered as single ascending doses as solution during 10 hrs overnight fasting state | ChEMBL. | 18559649 |
| CL/F (ADMET) | = 338.2 L/hr | Apparent oral clearance in healthy human at 40 mg, po administered as single ascending doses as solution during 10 hrs overnight fasting state | ChEMBL. | 18559649 |
| CL/F (ADMET) | = 338.6 L/hr | Apparent oral clearance in healthy human at 10 mg, po administered as single ascending doses as solution during 10 hrs overnight fasting state | ChEMBL. | 18559649 |
| CL/F (ADMET) | = 417.8 L/hr | Apparent oral clearance in healthy human at 30 mg, po administered as single ascending doses as solution during 10 hrs overnight fasting state | ChEMBL. | 18559649 |
| Cmax (ADMET) | = 40 ng/ml | Cmax in healthy human plasma at 10 mg, po administered as single ascending doses as solution during 10 hrs overnight fasting state | ChEMBL. | 18559649 |
| Cmax (ADMET) | = 50.5 ng/ml | Cmax in healthy human plasma at 30 mg, po administered as single ascending doses as solution during 10 hrs overnight fasting state | ChEMBL. | 18559649 |
| Cmax (ADMET) | = 57.3 ng/ml | Cmax in healthy human plasma at 20 mg, po administered as single ascending doses as solution during 10 hrs overnight fasting state | ChEMBL. | 18559649 |
| Cmax (ADMET) | = 83 ng/ml | Cmax in healthy human plasma at 40 mg, po administered as single ascending doses as solution during 10 hrs overnight fasting state | ChEMBL. | 18559649 |
| Cmax (ADMET) | = 95 ng/ml | Cmax in healthy human plasma at 40 mg, po administered as two 20 mg immediate release tablets daily for 3 days during 10 hrs overnight fasting state measured after 3 day | ChEMBL. | 18559649 |
| Cmax (ADMET) | = 96.4 ng/ml | Cmax in healthy human plasma at 40 mg, po administered as two 20 mg immediate release tablets daily for 3 days during 10 hrs overnight fasting state measured after 1 day | ChEMBL. | 18559649 |
| Cmax (ADMET) | = 120 ng/ml | Normalized Cmax in healthy human plasma at 30 mg, po administered as single ascending doses as solution during 10 hrs overnight fasting state | ChEMBL. | 18559649 |
| Cmax (ADMET) | = 125.2 ng/ml | Normalized Cmax in healthy human plasma 80 mg, po administered as four 20 mg immediate release tablets daily for 3 days during 10 hrs overnight fasting state measured after 3 day | ChEMBL. | 18559649 |
| Cmax (ADMET) | = 130.3 ng/ml | Cmax in healthy human plasma at 80 mg, po administered as four 20 mg immediate release tablets daily for 3 days during 10 hrs overnight fasting state measured after 3 day | ChEMBL. | 18559649 |
| Cmax (ADMET) | = 138.1 ng/ml | Normalized Cmax in healthy human plasma at 80 mg, po administered as single immediate release tablets during 10 hrs overnight fasting state | ChEMBL. | 18559649 |
| Cmax (ADMET) | = 140.2 ng/ml | Cmax in healthy human plasma at 80 mg, po administered as single immediate release tablets during 10 hrs overnight fasting state | ChEMBL. | 18559649 |
| Cmax (ADMET) | = 149.1 ng/ml | Normalized Cmax in healthy human plasma 80 mg, po administered as four 20 mg immediate release tablets daily for 3 days during 10 hrs overnight fasting state measured after 1 day | ChEMBL. | 18559649 |
| Cmax (ADMET) | = 155.1 ng/ml | Cmax in healthy human plasma at 80 mg, po administered as four 20 mg immediate release tablets daily for 3 days during 10 hrs overnight fasting state measured after 1 day | ChEMBL. | 18559649 |
| Cmax (ADMET) | = 160.9 ng/ml | Normalized Cmax in healthy human plasma at 40 mg, po administered as single ascending doses as solution during 10 hrs overnight fasting state | ChEMBL. | 18559649 |
| Cmax (ADMET) | = 195.4 ng/ml | Normalized Cmax in healthy human plasma 40 mg, po administered as two 20 mg immediate release tablets daily for 3 days during 10 hrs overnight fasting state measured after 3 day | ChEMBL. | 18559649 |
| Cmax (ADMET) | = 198.5 ng/ml | Normalized Cmax in healthy human plasma 40 mg, po administered as two 20 mg immediate release tablets daily for 3 days during 10 hrs overnight fasting state measured after 1 day | ChEMBL. | 18559649 |
| Cmax (ADMET) | = 225 ng/ml | Cmax in healthy human plasma infected with Plasmodium falciparum K1 at 40 mg, po administered as two 20 mg immediate release tablets daily for 3 days during 10 hrs overnight fasting state measured after 3 days | ChEMBL. | 18559649 |
| Cmax (ADMET) | = 229.7 ng/ml | Normalized Cmax in healthy human plasma at 20 mg, po administered as single ascending doses as solution during 10 hrs overnight fasting state | ChEMBL. | 18559649 |
| Cmax (ADMET) | = 231 ng/ml | Cmax in healthy human plasma infected with Plasmodium falciparum K1 at 40 mg, po administered as two 20 mg immediate release tablets daily for 3 days during 10 hrs overnight fasting state measured after 1 day | ChEMBL. | 18559649 |
| Cmax (ADMET) | = 296 ng/ml | Cmax in healthy human plasma infected with Plasmodium falciparum K1 at 80 mg, po administered as four 20 mg immediate release tablets daily for 3 days during 10 hrs overnight fasting state measured after 3 days | ChEMBL. | 18559649 |
| Cmax (ADMET) | = 329.7 ng/ml | Normalized Cmax in healthy human plasma at 10 mg, po administered as single ascending doses as solution during 10 hrs overnight fasting state | ChEMBL. | 18559649 |
| Cmax (ADMET) | = 352 ng/ml | Cmax in healthy human plasma infected with Plasmodium falciparum K1 at 80 mg, po administered as four 20 mg immediate release tablets daily for 3 days during 10 hrs overnight fasting state measured after 1 day | ChEMBL. | 18559649 |
| EC50 (functional) | = 0.14 nM | Antimalarial activity against multi-drug resistant Plasmodium falciparum | ChEMBL. | No reference |
| EC50 (functional) | = 0.88 nM | Antiplasmodial activity against drug-sensitive Plasmodium falciparum 3D7 after 24 hrs by [3H]-hypoxanthine incorporation assay | ChEMBL. | 23587422 |
| EC50 (functional) | = 0.12 uM | Antiparasitic activity against Toxoplasma gondii RH infected in human foreskin fibroblasts monolayer after 72 hrs by bacterial beta-galactosidase reporter gene assay | ChEMBL. | 19635951 |
| EC50 (functional) | = 30 uM | Antiparasitic activity against Toxoplasma gondii ATCC 50839 infected in HFF cells after 72 hrs by beta-galactosidase reporter gene assay | ChEMBL. | 17698618 |
| ED50 (functional) | = 2 mg/kg/day | Antimalarial activity against Plasmodium berghei infected in Swiss albino mouse assessed as reduction in parasitemia after 4 days by microscopic analysis | ChEMBL. | 23587422 |
| ED90 (functional) | = 1.5 mg kg-1 | Antimalarial activity against Plasmodium berghei infected in sc dosed mouse | ChEMBL. | No reference |
| FC (functional) | = 10 | Antiplasmodial activity against Plasmodium falciparum relative to artesunate | ChEMBL. | 23587422 |
| IC50 (functional) | = 0.64 ng/ml | Antimalarial activity against Plasmodium falciparum TM90-C2A in human plasma assessed as inhibition of hypoxanthine uptake by intraerythrocytic malaria parasites by hypoxanthine incorporation assay | ChEMBL. | 18559649 |
| IC50 (functional) | = 0.04 uM | Antimalarial activity against sporozoite stage of Plasmodium berghei yoelii infected in human HepG2 cells | ChEMBL. | 26640981 |
| IC50 (functional) | = 12.9 uM | Growth inhibition of Leishmania donovani promastigotes after 72 hrs by Alamar blue assay | ChEMBL. | 17339374 |
| IC50 (functional) | = 22.5 uM | Growth inhibition of Trypanosoma brucei rhodesiense trypomastigotes after 72 hrs by Alamar blue assay | ChEMBL. | 17339374 |
| IC50 (functional) | = 23.3 uM | Growth inhibition of Trypanosoma cruzi epimastigotes after 72 hrs by Alamar blue assay | ChEMBL. | 17339374 |
| IC90 (functional) | = 44.8 uM | Growth inhibition of Trypanosoma brucei rhodesiense trypomastigotes after 72 hrs by Alamar blue assay | ChEMBL. | 17339374 |
| IC90 (functional) | = 50.5 uM | Growth inhibition of Trypanosoma cruzi epimastigotes after 72 hrs by Alamar blue assay | ChEMBL. | 17339374 |
| MRT (ADMET) | = 0.98 hr | Mean residence time in healthy human at 10 mg, po administered as single ascending doses as solution during 10 hrs overnight fasting state | ChEMBL. | 18559649 |
| MRT (ADMET) | = 1.79 hr | Mean residence time in healthy human at 20 mg, po administered as single ascending doses as solution during 10 hrs overnight fasting state | ChEMBL. | 18559649 |
| MRT (ADMET) | = 2.29 hr | Mean residence time in healthy human at 30 mg, po administered as single ascending doses as solution during 10 hrs overnight fasting state | ChEMBL. | 18559649 |
| MRT (ADMET) | = 2.39 hr | Mean residence time in healthy human at 40 mg, po administered as single ascending doses as solution during 10 hrs overnight fasting state | ChEMBL. | 18559649 |
| MRT (ADMET) | = 2.64 hr | Mean residence time in healthy human at 80 mg, po administered as single immediate release tablets during 10 hrs overnight fasting state | ChEMBL. | 18559649 |
| MRT (ADMET) | = 2.91 hr | Mean residence time in healthy human at 40 mg, po administered as two 20 mg immediate release tablets daily for 3 days during 10 hrs overnight fasting state measured after 1 day | ChEMBL. | 18559649 |
| MRT (ADMET) | = 3.3 hr | Mean residence time in healthy human at 80 mg, po administered as four 20 mg immediate release tablets daily for 3 days during 10 hrs overnight fasting state measured after 1 day | ChEMBL. | 18559649 |
| MRT (ADMET) | = 3.53 hr | Mean residence time in healthy human at 80 mg, po administered as four 20 mg immediate release tablets daily for 3 days during 10 hrs overnight fasting state measured after 3 day | ChEMBL. | 18559649 |
| MRT (ADMET) | = 3.74 hr | Mean residence time in healthy human at 40 mg, po administered as two 20 mg immediate release tablets daily for 3 days during 10 hrs overnight fasting state measured after 3 day | ChEMBL. | 18559649 |
| Survival (functional) | = 50 % | Antiparasitic activity against Toxoplasma gondii PRU-Luc-GFP type 2 infected in CD1 mouse acute toxoplasmosis model assessed as mouse survival at 10 mg/kg, sc administered once daily for 8 days measured after 25 days post-infection | ChEMBL. | 19635951 |
| Survival (functional) | = 60 % | Antiparasitic activity against Toxoplasma gondii PRU-Luc-GFP type 2 infected in 400 mg/kg sulfadiazine-pretreated INFgamma-deficient C57BL/6 mouse reactivated toxoplasmosis model assessed as mouse survival at 10 mg/kg, sc at once daily for 8 days administered 2 days after sulfadiazine discontinuation | ChEMBL. | 19635951 |
| T1/2 (ADMET) | = 1.51 hr | Half life in healthy human plasma at 10 mg, po administered as single ascending doses as solution during 10 hrs overnight fasting state | ChEMBL. | 18559649 |
| T1/2 (ADMET) | = 2.79 hr | Half life in healthy human plasma at 80 mg, po administered as single immediate release tablets during 10 hrs overnight fasting state | ChEMBL. | 18559649 |
| T1/2 (ADMET) | = 2.97 hr | Half life in healthy human plasma at 80 mg, po administered as four 20 mg immediate release tablets daily for 3 days during 10 hrs overnight fasting state measured after 1 day | ChEMBL. | 18559649 |
| T1/2 (ADMET) | = 3.07 hr | Half life in healthy human plasma at 80 mg, po administered as four 20 mg immediate release tablets daily for 3 days during 10 hrs overnight fasting state measured after 3 day | ChEMBL. | 18559649 |
| T1/2 (ADMET) | = 3.14 hr | Half life in healthy human plasma at 30 mg, po administered as single ascending doses as solution during 10 hrs overnight fasting state | ChEMBL. | 18559649 |
| T1/2 (ADMET) | = 3.36 hr | Half life in healthy human plasma at 40 mg, po administered as two 20 mg immediate release tablets daily for 3 days during 10 hrs overnight fasting state measured after 1 day | ChEMBL. | 18559649 |
| T1/2 (ADMET) | = 3.48 hr | Half life in healthy human plasma at 20 mg, po administered as single ascending doses as solution during 10 hrs overnight fasting state | ChEMBL. | 18559649 |
| T1/2 (ADMET) | = 3.54 hr | Half life in healthy human plasma at 40 mg, po administered as single ascending doses as solution during 10 hrs overnight fasting state | ChEMBL. | 18559649 |
| T1/2 (ADMET) | = 4.37 hr | Half life in healthy human plasma at 40 mg, po administered as two 20 mg immediate release tablets daily for 3 days during 10 hrs overnight fasting state measured after 3 day | ChEMBL. | 18559649 |
| Tmax (ADMET) | = 0.25 hr | Tmax in healthy human plasma at 10 mg, po administered as single ascending doses as solution during 10 hrs overnight fasting state | ChEMBL. | 18559649 |
| Tmax (ADMET) | = 0.5 hr | Tmax in healthy human plasma at 20 mg, po administered as single ascending doses as solution during 10 hrs overnight fasting state | ChEMBL. | 18559649 |
| Tmax (ADMET) | = 0.5 hr | Tmax in healthy human plasma at 30 mg, po administered as single ascending doses as solution during 10 hrs overnight fasting state | ChEMBL. | 18559649 |
| Tmax (ADMET) | = 0.625 hr | Tmax in healthy human plasma at 40 mg, po administered as single ascending doses as solution during 10 hrs overnight fasting state | ChEMBL. | 18559649 |
| Tmax (ADMET) | = 0.875 hr | Tmax in healthy human plasma at 80 mg, po administered as single immediate release tablets during 10 hrs overnight fasting state | ChEMBL. | 18559649 |
| Tmax (ADMET) | = 1.13 hr | Tmax in healthy human plasma at 40 mg, po administered as two 20 mg immediate release tablets daily for 3 days during 10 hrs overnight fasting state measured after 3 day | ChEMBL. | 18559649 |
| Tmax (ADMET) | = 1.5 hr | Tmax in healthy human plasma at 40 mg, po administered as two 20 mg immediate release tablets daily for 3 days during 10 hrs overnight fasting state measured after 1 day | ChEMBL. | 18559649 |
| Tmax (ADMET) | = 1.5 hr | Tmax in healthy human plasma at 80 mg, po administered as four 20 mg immediate release tablets daily for 3 days during 10 hrs overnight fasting state measured after 1 day | ChEMBL. | 18559649 |
| Tmax (ADMET) | = 1.5 hr | Tmax in healthy human plasma at 80 mg, po administered as four 20 mg immediate release tablets daily for 3 days during 10 hrs overnight fasting state measured after 3 day | ChEMBL. | 18559649 |
| Vd/F (ADMET) | = 8.93 L/Kg | Apparent volume of distribution with respect to the bioavailability in healthy human at 10 mg, po administered as single ascending doses as solution during 10 hrs overnight fasting state | ChEMBL. | 18559649 |
| Vd/F (ADMET) | = 12.85 L/Kg | Apparent volume of distribution with respect to the bioavailability in healthy human at 40 mg, po administered as two 20 mg immediate release tablets daily for 3 days during 10 hrs overnight fasting state measured after 1 day | ChEMBL. | 18559649 |
| Vd/F (ADMET) | = 12.98 L/Kg | Apparent volume of distribution with respect to the bioavailability in healthy human at 80 mg, po administered as four 20 mg immediate release tablets daily for 3 days during 10 hrs overnight fasting state measured after 1 day | ChEMBL. | 18559649 |
| Vd/F (ADMET) | = 13.65 L/Kg | Apparent volume of distribution with respect to the bioavailability in healthy human at 80 mg, po administered as four 20 mg immediate release tablets daily for 3 days during 10 hrs overnight fasting state measured after 3 day | ChEMBL. | 18559649 |
| Vd/F (ADMET) | = 14.5 L/Kg | Apparent volume of distribution with respect to the bioavailability in healthy human at 80 mg, po administered as single immediate release tablets during 10 hrs overnight fasting state | ChEMBL. | 18559649 |
| Vd/F (ADMET) | = 16.06 L/Kg | Apparent volume of distribution with respect to the bioavailability in healthy human at 40 mg, po administered as two 20 mg immediate release tablets daily for 3 days during 10 hrs overnight fasting state measured after 3 day | ChEMBL. | 18559649 |
| Vd/F (ADMET) | = 19.05 L/Kg | Apparent volume of distribution with respect to the bioavailability in healthy human at 20 mg, po administered as single ascending doses as solution during 10 hrs overnight fasting state | ChEMBL. | 18559649 |
| Vd/F (ADMET) | = 22.24 L/Kg | Apparent volume of distribution with respect to the bioavailability in healthy human at 40 mg, po administered as single ascending doses as solution during 10 hrs overnight fasting state | ChEMBL. | 18559649 |
| Vd/F (ADMET) | = 26.59 L/Kg | Apparent volume of distribution with respect to the bioavailability in healthy human at 30 mg, po administered as single ascending doses as solution during 10 hrs overnight fasting state | ChEMBL. | 18559649 |
Phenotypes
Whole-cell/tissue/organism interactions
| Species name | Source | Reference | Is orphan |
|---|---|---|---|
| Toxoplasma gondii | 19635951 | ||
| Leishmania donovani | ChEMBL23 | 17339374 | |
| Plasmodium berghei | ChEMBL23 | 26640981 | |
| Plasmodium falciparum | ChEMBL23 | 18559649 |
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: CHEMBL516268
Bibliographic References
No literature references available for this target.
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