Molecule Details
| InChIKey | OJFKUJDRGJSAQB-UHFFFAOYSA-N |
|---|---|
| Compound Name | Tak-632 |
| Canonical SMILES | N#Cc1c(Oc2ccc(F)c(NC(=O)Cc3cccc(C(F)(F)F)c3)c2)ccc2nc(NC(=O)C3CC3)sc12 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 17 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 6.68 |
| Source | BindingDB;ChEMBL |
2D Structure
Activity Profile
Target Activities (17)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P04049 | RAF1 | Homo sapiens | Human | PF00130 PF07714 PF02196 | 8.3 | IC50 | ChEMBL |
| P15056 | BRAF | Homo sapiens | Human | PF00130 PF07714 PF02196 | 8.1 | IC50 | ChEMBL;BindingDB |
| Q96GD4 | AURKB | Homo sapiens | Human | PF00069 | 7.2 | IC50 | ChEMBL;BindingDB |
| Q9Y572 | RIPK3 | Homo sapiens | Human | PF00069 PF12721 | 7.0 | Kd | ChEMBL;BindingDB |
| P01127 | PDGFB | Homo sapiens | Human | PF00341 PF04692 | 6.9 | IC50 | BindingDB |
| P09619 | PDGFRB | Homo sapiens | Human | PF00047 PF13927 PF25305 PF07714 | 6.9 | IC50 | ChEMBL |
| P35968 | KDR | Homo sapiens | Human | PF07679 PF00047 PF13895 PF22971 PF07714 PF21339 PF17988 PF22854 | 6.8 | IC50 | ChEMBL |
| P22607 | FGFR3 | Homo sapiens | Human | PF21165 PF07679 PF13927 PF07714 | 6.5 | IC50 | ChEMBL |
| Q13546 | RIPK1 | Homo sapiens | Human | PF00531 PF07714 | 6.3 | Kd | ChEMBL;BindingDB |
| P49841 | GSK3B | Homo sapiens | Human | PF00069 | 6.3 | IC50 | ChEMBL |
| P20248 | CCNA2 | Homo sapiens | Human | PF02984 PF00134 PF16500 | 6.2 | IC50 | ChEMBL |
| P24941 | CDK2 | Homo sapiens | Human | PF00069 | 6.2 | IC50 | ChEMBL;BindingDB |
| Q16539 | MAPK14 | Homo sapiens | Human | PF00069 | 6.2 | IC50 | ChEMBL |
| P04085 | PDGFA | Homo sapiens | Human | PF00341 PF04692 | 6.2 | IC50 | ChEMBL;BindingDB |
| Q02763 | TEK | Homo sapiens | Human | PF00041 PF10430 PF07714 | 6.1 | IC50 | ChEMBL |
| P06493 | CDK1 | Homo sapiens | Human | PF00069 | 6.1 | IC50 | ChEMBL;BindingDB |
| P14635 | CCNB1 | Homo sapiens | Human | PF02984 PF00134 | 6.1 | IC50 | ChEMBL |