Molecule Details
| InChIKey | DUAIEVYTIKHMGW-IBGZPJMESA-N |
|---|---|
| Compound Name | 3-[[5-chloro-4-[(3-fluorophenyl)methylamino]pyrimidin-2-yl]amino]-N-[(3S)-piperidin-3-yl]benzamide |
| Canonical SMILES | O=C(N[C@H]1CCCNC1)c1cccc(Nc2ncc(Cl)c(NCc3cccc(F)c3)n2)c1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 3 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 7.47 |
| Source | ChEMBL |
2D Structure
Activity Profile
Target Activities (3)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P04629 | NTRK1 | Homo sapiens | Human | PF13855 PF16920 PF07714 PF18613 | 7.6 | IC50 | ChEMBL |
| Q16620 | NTRK2 | Homo sapiens | Human | PF07679 PF13855 PF16920 PF01462 PF07714 | 7.5 | IC50 | ChEMBL |
| Q16288 | NTRK3 | Homo sapiens | Human | PF07679 PF00047 PF13855 PF16920 PF01462 PF07714 | 7.3 | IC50 | ChEMBL |