Detailed information for compound 1141131
Basic information
Technical information
- Name: Unnamed compound
- MW: 400.425 | Formula: C20H22F2N6O
-
H donors: 3
H acceptors: 3
LogP: 2.16
Rotable bonds: 6
Rule of 5 violations (Lipinski): 1 - SMILES: CCc1c[nH]c2c1c(ncn2)N1CC[C@](C1)(N)CNC(=O)c1ccc(cc1F)F
- InChi: 1S/C20H22F2N6O/c1-2-12-8-24-17-16(12)18(27-11-26-17)28-6-5-20(23,10-28)9-25-19(29)14-4-3-13(21)7-15(14)22/h3-4,7-8,11H,2,5-6,9-10,23H2,1H3,(H,25,29)(H,24,26,27)/t20-/m0/s1
- InChiKey: MOZRQQTUYAYCQT-FQEVSTJZSA-N
Network
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Synonyms
No synonyms found for this compound
Targets
Known targets for this compound
| Species | Target name | Source | Bibliographic reference |
|---|---|---|---|
| Homo sapiens | ribosomal protein S6 kinase, 70kDa, polypeptide 1 | References | |
| Homo sapiens | v-akt murine thymoma viral oncogene homolog 3 | Starlite/ChEMBL | References |
| Homo sapiens | v-akt murine thymoma viral oncogene homolog 2 | Starlite/ChEMBL | References |
| Homo sapiens | v-akt murine thymoma viral oncogene homolog 1 | Starlite/ChEMBL | References |
Predicted pathogen targets for this compound
By orthology
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 |
|---|---|---|---|---|
| Trichomonas vaginalis | AGC family protein kinase | 0.0181 | 1 | 1 |
| Trichomonas vaginalis | AGC family protein kinase | 0.0181 | 1 | 1 |
| Brugia malayi | hypothetical protein | 0.0025 | 0.0823 | 0.0545 |
| Brugia malayi | Protein kinase domain containing protein | 0.006 | 0.2887 | 0.2671 |
| Echinococcus granulosus | serine:threonine protein kinase N2 | 0.006 | 0.2887 | 0.3831 |
| Trichomonas vaginalis | AGC family protein kinase | 0.0181 | 1 | 1 |
| Plasmodium falciparum | histone acetyltransferase GCN5 | 0.0039 | 0.1606 | 0.1448 |
| Echinococcus granulosus | ribosomal protein s6 kinase beta 1 | 0.006 | 0.2887 | 0.3831 |
| Echinococcus multilocularis | ribosomal protein s6 kinase beta 1 | 0.006 | 0.2887 | 0.3714 |
| Echinococcus multilocularis | Glutaredoxin protein 5 | 0.0116 | 0.6151 | 0.7916 |
| Echinococcus multilocularis | nervana 2 | 0.0116 | 0.6151 | 0.7916 |
| Echinococcus granulosus | protein kinase C gamma type | 0.006 | 0.2887 | 0.3831 |
| Toxoplasma gondii | histone lysine acetyltransferase GCN5-A | 0.0042 | 0.1813 | 0.1114 |
| Toxoplasma gondii | AGC kinase | 0.0176 | 0.9707 | 1 |
| Entamoeba histolytica | protein kinase, putative | 0.0181 | 1 | 1 |
| Toxoplasma gondii | histone lysine acetyltransferase GCN5-B | 0.0042 | 0.1813 | 0.1114 |
| Echinococcus granulosus | histone acetyltransferase KAT2B | 0.0139 | 0.7534 | 1 |
| Echinococcus granulosus | nervana 2 | 0.0116 | 0.6151 | 0.8164 |
| Echinococcus multilocularis | sodium:potassium dependent atpase beta subunit | 0.0116 | 0.6151 | 0.7916 |
| Schistosoma mansoni | serine/threonine protein kinase | 0.006 | 0.2887 | 0.3714 |
| Echinococcus granulosus | ribosomal protein S6 kinase alpha 3 | 0.006 | 0.2887 | 0.3831 |
| Brugia malayi | Hr1 repeat family protein | 0.006 | 0.2887 | 0.2671 |
| Trichomonas vaginalis | AGC family protein kinase | 0.006 | 0.2887 | 0.1312 |
| Echinococcus multilocularis | serine:threonine protein kinase N2 | 0.006 | 0.2887 | 0.3714 |
| Schistosoma mansoni | gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2 | 0.0143 | 0.7771 | 1 |
| Trypanosoma cruzi | rac serine-threonine kinase, putative | 0.0122 | 0.6521 | 1 |
| Plasmodium falciparum | RAC-beta serine/threonine protein kinase | 0.0117 | 0.6228 | 1 |
| Entamoeba histolytica | protein kinase 2, putative | 0.0117 | 0.6228 | 0.5506 |
| Echinococcus multilocularis | gcn5proteinral control of amino acid synthesis | 0.0143 | 0.7771 | 1 |
| Echinococcus multilocularis | nervana 2 | 0.0116 | 0.6151 | 0.7916 |
| Loa Loa (eye worm) | AGC/RSK/P70 protein kinase | 0.0176 | 0.9707 | 0.9681 |
| Trichomonas vaginalis | AGC family protein kinase | 0.006 | 0.2887 | 0.1312 |
| Trichomonas vaginalis | AGC family protein kinase | 0.0181 | 1 | 1 |
| Trichomonas vaginalis | serine/threonine-protein kinase sgk, putative | 0.0059 | 0.281 | 0.1218 |
| Echinococcus granulosus | sodium:potassium dependent atpase beta subunit | 0.0116 | 0.6151 | 0.8164 |
| Brugia malayi | protein kinase C II. | 0.006 | 0.2887 | 0.2671 |
| Trypanosoma cruzi | Protein kinase B | 0.0122 | 0.6521 | 1 |
| Echinococcus granulosus | serine/threonine protein kinase | 0.0122 | 0.6521 | 0.8655 |
| Plasmodium vivax | histone acetyltransferase GCN5, putative | 0.0042 | 0.1813 | 0.1831 |
| Trichomonas vaginalis | AGC family protein kinase | 0.0181 | 1 | 1 |
| Schistosoma mansoni | serine/threonine protein kinase | 0.006 | 0.2887 | 0.3714 |
| Brugia malayi | Protein kinase domain containing protein | 0.006 | 0.2887 | 0.2671 |
| Echinococcus granulosus | calcium:calmodulin dependent protein kinase | 0.0117 | 0.6228 | 0.8266 |
| Leishmania major | hypothetical protein, conserved | 0.0025 | 0.0823 | 0.5 |
| Echinococcus multilocularis | ribosomal protein S6 kinase alpha 3 | 0.006 | 0.2887 | 0.3714 |
| Schistosoma mansoni | serine/threonine-protein kinase | 0.0122 | 0.6521 | 0.8391 |
| Echinococcus multilocularis | rac serine:threonine kinase | 0.0122 | 0.6521 | 0.8391 |
| Entamoeba histolytica | protein kinase, putative | 0.0181 | 1 | 1 |
| Echinococcus granulosus | Protein kinase C brain isozyme | 0.006 | 0.2887 | 0.3831 |
| Echinococcus granulosus | protein kinase c epsilon type | 0.006 | 0.2887 | 0.3831 |
| Loa Loa (eye worm) | acetyltransferase | 0.0143 | 0.7771 | 0.7571 |
| Loa Loa (eye worm) | AGC/AKT protein kinase | 0.0181 | 1 | 1 |
| Echinococcus granulosus | Ribosomal protein S6 kinase beta 2 | 0.006 | 0.2887 | 0.3831 |
| Echinococcus multilocularis | serine:threonine protein kinase N2 | 0.006 | 0.2887 | 0.3714 |
| Schistosoma mansoni | serine/threonine protein kinase | 0.006 | 0.2887 | 0.3714 |
| Entamoeba histolytica | PH domain containing protein kinase, putative | 0.0122 | 0.6521 | 0.5855 |
| Trypanosoma cruzi | rac serine-threonine kinase, putative | 0.0117 | 0.6228 | 0.9486 |
| Echinococcus granulosus | NDR protein kinase | 0.006 | 0.2887 | 0.3831 |
| Schistosoma mansoni | serine/threonine protein kinase | 0.006 | 0.2887 | 0.3714 |
| Echinococcus granulosus | Glutaredoxin protein 5 | 0.0116 | 0.6151 | 0.8164 |
| Entamoeba histolytica | protein kinase, putative | 0.006 | 0.2887 | 0.1526 |
| Echinococcus multilocularis | serine threonine protein kinase | 0.006 | 0.2887 | 0.3714 |
| Echinococcus multilocularis | protein kinase c epsilon type | 0.006 | 0.2887 | 0.3714 |
| Loa Loa (eye worm) | hypothetical protein | 0.006 | 0.2887 | 0.2248 |
| Loa Loa (eye worm) | AGC/NDR protein kinase | 0.006 | 0.2887 | 0.2248 |
| Schistosoma mansoni | serine/threonine protein kinase | 0.006 | 0.2887 | 0.3714 |
| Trichomonas vaginalis | AGC family protein kinase | 0.0181 | 1 | 1 |
| Brugia malayi | Cytochrome P450 family protein | 0.0026 | 0.0854 | 0.0577 |
| Giardia lamblia | Kinase, AGC PKA | 0.0117 | 0.6228 | 1 |
| Echinococcus granulosus | serine threonine protein kinase nrc | 0.0117 | 0.6228 | 0.8266 |
| Brugia malayi | acetyltransferase, GNAT family protein | 0.0143 | 0.7771 | 0.7703 |
| Trichomonas vaginalis | AGC family protein kinase | 0.0065 | 0.3179 | 0.1669 |
| Trichomonas vaginalis | AGC family protein kinase | 0.006 | 0.2887 | 0.1312 |
| Schistosoma mansoni | serine/threonine protein kinase | 0.006 | 0.2887 | 0.3714 |
| Loa Loa (eye worm) | AGC/DMPK/GEK protein kinase | 0.006 | 0.2887 | 0.2248 |
| Trypanosoma brucei | rac serine-threonine kinase, putative | 0.0181 | 1 | 1 |
| Schistosoma mansoni | serine/threonine kinase | 0.006 | 0.2887 | 0.3714 |
| Echinococcus multilocularis | Protein kinase C, brain isozyme | 0.006 | 0.2887 | 0.3714 |
| Schistosoma mansoni | serine/threonine-protein kinase | 0.0122 | 0.6521 | 0.8391 |
| Echinococcus granulosus | histone acetyltransferase KAT2B | 0.0042 | 0.1813 | 0.2406 |
| Trichomonas vaginalis | AGC family protein kinase | 0.0181 | 1 | 1 |
| Echinococcus granulosus | nervana 2 | 0.0116 | 0.6151 | 0.8164 |
| Schistosoma mansoni | serine/threonine protein kinase | 0.006 | 0.2887 | 0.3714 |
| Loa Loa (eye worm) | AGC/RSK/RSK protein kinase | 0.006 | 0.2887 | 0.2248 |
| Echinococcus multilocularis | serine:threonine protein kinase 38 | 0.006 | 0.2887 | 0.3714 |
| Loa Loa (eye worm) | AGC/RSK/MSK protein kinase | 0.006 | 0.2887 | 0.2248 |
| Echinococcus multilocularis | Ribosomal protein S6 kinase beta 2 | 0.006 | 0.2887 | 0.3714 |
| Loa Loa (eye worm) | AGC/PKC/ETA protein kinase | 0.006 | 0.2887 | 0.2248 |
| Echinococcus granulosus | protein kinase c iota type | 0.006 | 0.2887 | 0.3831 |
| Entamoeba histolytica | protein kinase, putative | 0.0176 | 0.9707 | 0.9651 |
| Entamoeba histolytica | PH domain containing protein kinase, putative | 0.0122 | 0.6521 | 0.5855 |
| Schistosoma mansoni | atypical protein kinase C | 0.006 | 0.2887 | 0.3714 |
| Echinococcus multilocularis | protein kinase c iota type | 0.006 | 0.2887 | 0.3714 |
| Echinococcus multilocularis | serine threonine protein kinase nrc serine threonine protein kinase gad | 0.0117 | 0.6228 | 0.8014 |
| Loa Loa (eye worm) | AGC/PKN protein kinase | 0.006 | 0.2887 | 0.2248 |
| Brugia malayi | p70 ribosomal S6 kinase beta | 0.0176 | 0.9707 | 0.9699 |
| Plasmodium vivax | rac-beta serine/threonine protein kinase, putative | 0.0117 | 0.6228 | 1 |
| Loa Loa (eye worm) | cytochrome P450 family protein | 0.0026 | 0.0854 | 0.0033 |
Activities
| Activity type | Activity value | Assay description | Source | Reference |
|---|---|---|---|---|
| Activity (functional) | = 181 % | Inhibition of AKT1/p70S6K1 in SCID/Beige mouse xenografted with human PC3 cells assessed as average increase in AKT phosphorylation related to loss of feedback loop at 25 mg/kg, po administered as single dose measured up to 24 hrs by immunoblot analysis | ChEMBL. | 20481595 |
| Activity (functional) | = 245 % | Inhibition of AKT1/p70S6K1 in SCID/Beige mouse xenografted with human PC3 cells assessed as average increase in AKT phosphorylation related to loss of feedback loop at 75 mg/kg, po administered as single dose measured up to 24 hrs by immunoblot analysis | ChEMBL. | 20481595 |
| Activity (functional) | = 284 % | Inhibition of AKT1/p70S6K1 in SCID/Beige mouse xenografted with human PC3 cells assessed as average increase in AKT phosphorylation related to loss of feedback loop at 100 mg/kg, po administered as single dose measured up to 24 hrs by immunoblot analysis | ChEMBL. | 20481595 |
| Activity (functional) | = 302 % | Inhibition of AKT1/p70S6K1 in SCID/Beige mouse xenografted with human PC3 cells assessed as loss of feedback loop-associated increase in AKT hyperphosphorylation at 25 mg/kg, po administered as single dose measured 1 hr by immunoblot analysis | ChEMBL. | 20481595 |
| Activity (functional) | = 408 % | Inhibition of AKT1/p70S6K1 in SCID/Beige mouse xenografted with human PC3 cells assessed as loss of feedback loop-associated increase in AKT hyperphosphorylation at 75 mg/kg, po administered as single dose measured 1 hr by immunoblot analysis | ChEMBL. | 20481595 |
| Activity (functional) | > 425 % | Inhibition of AKT1/p70S6K1 in SCID/Beige mouse xenografted with human PC3 cells assessed as loss of feedback loop-associated increase in AKT hyperphosphorylation at 100 mg/kg, po administered as single dose measured 1 hr by immunoblot analysis | ChEMBL. | 20481595 |
| AUC (ADMET) | = 435 ng.hr/ml | AUC in SCID/Beige mouse xenografted with human PC3 cells at 25 mg/kg, po BID for 10 days | ChEMBL. | 20481595 |
| AUC (ADMET) | = 5746 ng.hr/ml | AUC in SCID/Beige mouse xenografted with human PC3 cells at 75 mg/kg, po BID for 10 days | ChEMBL. | 20481595 |
| AUC (ADMET) | = 10698 ng.hr/ml | AUC in SCID/Beige mouse xenografted with human PC3 cells at 100 mg/kg, po BID for 10 days | ChEMBL. | 20481595 |
| AUEC (functional) | = 4352 %.hr | Inhibition of AKT1/p70S6K1 in SCID/Beige mouse xenografted with human PC3 cells assessed as area under the effect curve of increased AKT phosphorylation related to loss of feedback loop at 25 mg/kg, po administered as single dose measured up to 24 hrs | ChEMBL. | 20481595 |
| AUEC (functional) | = 5879 %.hr | Inhibition of AKT1/p70S6K1 in SCID/Beige mouse xenografted with human PC3 cells assessed as area under the effect curve of increased AKT phosphorylation related to loss of feedback loop at 75 mg/kg, po administered as single dose measured up to 24 hrs | ChEMBL. | 20481595 |
| AUEC (functional) | = 6813 %.hr | Inhibition of AKT1/p70S6K1 in SCID/Beige mouse xenografted with human PC3 cells assessed as area under the effect curve of increased AKT phosphorylation related to loss of feedback loop at 100 mg/kg, po administered as single dose measured up to 24 hrs | ChEMBL. | 20481595 |
| AUIC (functional) | = 207 %.hr | Inhibition of AKT1/p70S6K1 in SCID/Beige mouse xenografted with human PC3 cells assessed as area under the inhibitory curve of reduced phosphorylated S6 level at 25 mg/kg, po administered as single dose measured up to 24 hrs | ChEMBL. | 20481595 |
| AUIC (functional) | = 822 %.hr | Inhibition of AKT1/p70S6K1 in SCID/Beige mouse xenografted with human PC3 cells assessed as area under the inhibitory curve of reduced phosphorylated S6 level at 75 mg/kg, po administered as single dose measured up to 24 hrs | ChEMBL. | 20481595 |
| AUIC (functional) | = 1152 %.hr | Inhibition of AKT1/p70S6K1 in SCID/Beige mouse xenografted with human PC3 cells assessed as area under the inhibitory curve of reduced phosphorylated S6 level at 100 mg/kg, po administered as single dose measured up to 24 hrs | ChEMBL. | 20481595 |
| Cmax (ADMET) | = 358 ng/ml | Cmax in SCID/Beige mouse xenografted with human PC3 cells at 25 mg/kg, po BID for 10 days | ChEMBL. | 20481595 |
| Cmax (ADMET) | = 1996 ng/ml | Cmax in SCID/Beige mouse xenografted with human PC3 cells at 75 mg/kg, po BID for 10 days | ChEMBL. | 20481595 |
| Cmax (ADMET) | = 3049 ng/ml | Cmax in SCID/Beige mouse xenografted with human PC3 cells at 100 mg/kg, po BID for 10 days | ChEMBL. | 20481595 |
| Cp (ADMET) | = 45 nM | Plasma concentration in SCID/Beige mouse xenografted with human PC3 cells at 25 mg/kg, po BID for 10 days | ChEMBL. | 20481595 |
| Cp (ADMET) | = 598 nM | Plasma concentration in SCID/Beige mouse xenografted with human PC3 cells at 75 mg/kg, po BID for 10 days | ChEMBL. | 20481595 |
| Cp (ADMET) | = 1113 nM | Plasma concentration in SCID/Beige mouse xenografted with human PC3 cells at 100 mg/kg, po BID for 10 days | ChEMBL. | 20481595 |
| Cp(f) (ADMET) | = 13 nM | Free plasma concentration in SCID/Beige mouse xenografted with human PC3 cells at 25 mg/kg, po BID for 10 days | ChEMBL. | 20481595 |
| Cp(f) (ADMET) | = 177 nM | Free plasma concentration in SCID/Beige mouse xenografted with human PC3 cells at 75 mg/kg, po BID for 10 days | ChEMBL. | 20481595 |
| Cp(f) (ADMET) | = 329 nM | Free plasma concentration in SCID/Beige mouse xenografted with human PC3 cells at 100 mg/kg, po BID for 10 days | ChEMBL. | 20481595 |
| EC50 (binding) | = 216 nM | Inhibition of AKT1/p70S6K1 assessed as loss of feedback loop-associated increase in AKT hyperphosphorylation | ChEMBL. | 20481595 |
| fAUC (ADMET) | = 129 ng.hr/ml | fAUC in SCID/Beige mouse xenografted with human PC3 cells at 25 mg/kg, po BID for 10 days | ChEMBL. | 20481595 |
| fAUC (ADMET) | = 1701 ng.hr/ml | fAUC in SCID/Beige mouse xenografted with human PC3 cells at 75 mg/kg, po BID for 10 days | ChEMBL. | 20481595 |
| fAUC (ADMET) | = 3167 ng.hr/ml | fAUC in SCID/Beige mouse xenografted with human PC3 cells at 100 mg/kg, po BID for 10 days | ChEMBL. | 20481595 |
| fCmax (ADMET) | = 106 ng/ml | fCmax in SCID/Beige mouse xenografted with human PC3 cells at 25 mg/kg, po BID for 10 days | ChEMBL. | 20481595 |
| fCmax (ADMET) | = 591 ng/ml | fCmax in SCID/Beige mouse xenografted with human PC3 cells at 75 mg/kg, po BID for 10 days | ChEMBL. | 20481595 |
| fCmax (ADMET) | = 903 ng/ml | fCmax in SCID/Beige mouse xenografted with human PC3 cells at 100 mg/kg, po BID for 10 days | ChEMBL. | 20481595 |
| Fu (ADMET) | = 0.274 % | Fraction unbound in mouse plasma at 10 uM | ChEMBL. | 20481595 |
| Fu (ADMET) | = 0.296 % | Fraction unbound in mouse plasma at 1 uM | ChEMBL. | 20481595 |
| IC50 (binding) | = 0.5 nM | Inhibition of AKT1 after 90 mins by IMAP assay | ChEMBL. | 20481595 |
| IC50 (binding) | = 9 nM | Inhibition of AKT2 after 90 mins by IMAP assay | ChEMBL. | 20481595 |
| IC50 (binding) | = 12 nM | Inhibition of AKT3 after 90 mins by IMAP assay | ChEMBL. | 20481595 |
| IC50 (binding) | = 110 nM | Inhibition of AKT1/p70S6K1-mediated reduction of phosphorylated S6 level | ChEMBL. | 20481595 |
| IC50 (binding) | = 0.31 uM | Inhibition of AKT1-mediated GSK3alpha phosphorylation in human U87 cells after 1 hr by ELISA | ChEMBL. | 20481595 |
| Inhibition (functional) | > 9 % | Inhibition of AKT1/p70S6K1 in SCID/Beige mouse xenografted with human PC3 cells assessed as average inhibition of S6 phosphorylation at 25 mg/kg, po administered as single dose measured up to 24 hrs by immunoblot analysis | ChEMBL. | 20481595 |
| Inhibition (functional) | = 34 % | Inhibition of AKT1/p70S6K1 in SCID/Beige mouse xenografted with human PC3 cells assessed as average inhibition of S6 phosphorylation at 75 mg/kg, po administered as single dose measured up to 24 hrs by immunoblot analysis | ChEMBL. | 20481595 |
| Inhibition (functional) | = 35 % | Inhibition of AKT1/p70S6K1 in SCID/Beige mouse xenografted with human PC3 cells assessed as reduction of phosphorylated S6 level at 25 mg/kg, po administered as single dose measured 2 to 4 hrs by immunoblot analysis | ChEMBL. | 20481595 |
| Inhibition (functional) | = 48 % | Inhibition of AKT1/p70S6K1 in SCID/Beige mouse xenografted with human PC3 cells assessed as average inhibition of S6 phosphorylation at 100 mg/kg, po administered as single dose measured up to 24 hrs by immunoblot analysis | ChEMBL. | 20481595 |
| Inhibition (binding) | > 50 % | Inhibition of RSK3 at 1 uM | ChEMBL. | 20481595 |
| Inhibition (binding) | > 50 % | Inhibition of RSK2 at 1 uM | ChEMBL. | 20481595 |
| Inhibition (binding) | > 50 % | Inhibition of MSK2 at 1 uM | ChEMBL. | 20481595 |
| Inhibition (binding) | > 50 % | Inhibition of PKG1alpha at 1 uM | ChEMBL. | 20481595 |
| Inhibition (binding) | > 50 % | Inhibition of MSK1 at 1 uM | ChEMBL. | 20481595 |
| Inhibition (binding) | > 50 % | Inhibition of CDK7 at 1 uM | ChEMBL. | 20481595 |
| Inhibition (functional) | = 75 % | Inhibition of AKT1/p70S6K1 in SCID/Beige mouse xenografted with human PC3 cells assessed as reduction of phosphorylated S6 level at 75 mg/kg, po administered as single dose measured 2 to 4 hrs by immunoblot analysis | ChEMBL. | 20481595 |
| Inhibition (functional) | = 81 % | Inhibition of AKT1/p70S6K1 in SCID/Beige mouse xenografted with human PC3 cells assessed as reduction of phosphorylated S6 level at 100 mg/kg, po administered as single dose measured 2 to 4 hrs by immunoblot analysis | ChEMBL. | 20481595 |
| TGI (functional) | = 25 % | Antitumor activity against human PC3 cells xenografted in SCID/Beige mouse assessed as tumor growth inhibition at 25 mg/kg, po BID for 10 days | ChEMBL. | 20481595 |
| TGI (functional) | = 51 % | Antitumor activity against human PC3 cells xenografted in SCID/Beige mouse assessed as tumor growth inhibition at 75 mg/kg, po BID for 10 days | ChEMBL. | 20481595 |
| TGI (functional) | = 60 % | Antitumor activity against human COLO205 cells xenografted in SCID/Beige mouse assessed as tumor growth inhibition at 150 mg/kg, po BID for 10 days measured after 10 days | ChEMBL. | 20481595 |
| TGI (functional) | = 75 % | Antitumor activity against human PC3 cells xenografted in SCID/Beige mouse assessed as tumor growth inhibition at 100 mg/kg, po BID for 10 days | ChEMBL. | 20481595 |
| TGI (functional) | = 98 % | Antitumor activity against human PC3 cells xenografted in SCID/Beige mouse assessed as tumor growth inhibition at 75 mg/kg, po BID for 10 days in presence of 10 mg/kg, ip rapamycin | ChEMBL. | 20481595 |
| Tmax (ADMET) | = 0.5 hr | Tmax in SCID/Beige mouse xenografted with human PC3 cells at 25 to 100 mg/kg, po BID for 10 days | ChEMBL. | 20481595 |
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: CHEMBL1171647
Bibliographic References
1 literature reference was collected for this gene.
If you have references for this compound, please enter them in a user comment (below) or Contact us.