Molecule Details
| InChIKey | OGBBOXLWGHVVPQ-UHFFFAOYSA-N |
|---|---|
| Compound Name | 1-[4-[4-[[5-Chloro-4-(2-dimethylphosphorylanilino)pyrimidin-2-yl]amino]-3-methoxyphenyl]piperazin-1-yl]ethanone |
| Canonical SMILES | COc1cc(N2CCN(C(C)=O)CC2)ccc1Nc1ncc(Cl)c(Nc2ccccc2P(C)(C)=O)n1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 3 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 7.9 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
Target Activities (3)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| Q9UM73 | ALK | Homo sapiens | Human | PF12810 PF00629 PF07714 | 9.2 | IC50 | ChEMBL;BindingDB |
| P08069 | IGF1R | Homo sapiens | Human | PF00757 PF07714 PF01030 | 7.5 | IC50 | ChEMBL;BindingDB |
| P06213 | INSR | Homo sapiens | Human | PF00757 PF17870 PF07714 PF01030 | 7.0 | IC50 | ChEMBL;BindingDB |