Molecule Details
| InChIKey | OVDSPTSBIQCAIN-UHFFFAOYSA-N |
|---|---|
| Compound Name | 5-Chloro-N2-(4-(4-(dimethylamino)-1-piperidinyl)-2-methoxyphenyl)-N4-(2-(dimethylphosphinyl)phenyl)-2,4-pyrimidinediamine |
| Canonical SMILES | COc1cc(N2CCC(N(C)C)CC2)ccc1Nc1ncc(Cl)c(Nc2ccccc2P(C)(C)=O)n1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 7 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 7.81 |
| Source | BindingDB;ChEMBL |
2D Structure
Activity Profile
Target Activities (7)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P08922 | ROS1 | Homo sapiens | Human | PF00041 PF07714 | 8.7 | IC50 | ChEMBL;BindingDB |
| Q9UM73 | ALK | Homo sapiens | Human | PF12810 PF00629 PF07714 | 8.5 | IC50 | ChEMBL;BindingDB |
| P08069 | IGF1R | Homo sapiens | Human | PF00757 PF07714 PF01030 | 8.5 | IC50 | ChEMBL;BindingDB |
| Q9HC35 | EML4 | Homo sapiens | Human | PF23409 PF23414 PF03451 | 8.3 | IC50 | ChEMBL |
| O75460 | ERN1 | Homo sapiens | Human | PF00069 PF06479 | 7.2 | IC50 | BindingDB |
| P06213 | INSR | Homo sapiens | Human | PF00757 PF17870 PF07714 PF01030 | 7.0 | IC50 | ChEMBL;BindingDB |
| O14965 | AURKA | Homo sapiens | Human | PF00069 | 6.5 | Kd | ChEMBL |