Molecule Details
| InChIKey | RJTVPQLMBWIFKC-UHFFFAOYSA-N |
|---|---|
| Compound Name | 5-chloro-2-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-4-N-[2-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]pyrimidine-2,4-diamine |
| Canonical SMILES | Cc1nc(-c2ccccc2Nc2nc(Nc3ccc(CN4CCN(C)CC4)cc3)ncc2Cl)n[nH]1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 5 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 7.31 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
Target Activities (5)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| Q96GD4 | AURKB | Homo sapiens | Human | PF00069 | 8.4 | IC50 | ChEMBL;BindingDB |
| P30530 | AXL | Homo sapiens | Human | PF00041 PF13927 PF07714 | 8.0 | IC50 | ChEMBL;BindingDB |
| P08069 | IGF1R | Homo sapiens | Human | PF00757 PF07714 PF01030 | 7.0 | IC50 | ChEMBL;BindingDB |
| O60674 | JAK2 | Homo sapiens | Human | PF18379 PF18377 PF17887 PF07714 PF21990 | 6.9 | IC50 | ChEMBL;BindingDB |
| Q9UM73 | ALK | Homo sapiens | Human | PF12810 PF00629 PF07714 | 6.3 | IC50 | ChEMBL;BindingDB |