Molecule Details
| InChIKey | ZKHQZMGFQLTDQH-UHFFFAOYSA-N |
|---|---|
| Compound Name | 2-[4-[2-[[5-chloro-4-(2-methoxyanilino)pyrimidin-2-yl]amino]-1-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-yl]piperazin-1-yl]ethanol |
| Canonical SMILES | COc1ccccc1Nc1nc(Nc2ccc3c(c2OC)CCCC(N2CCN(CCO)CC2)C3)ncc1Cl |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 3 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 6.93 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
Target Activities (3)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| Q05397 | PTK2 | Homo sapiens | Human | PF21477 PF00373 PF18038 PF03623 PF07714 | 7.4 | IC50 | ChEMBL;BindingDB |
| Q9UM73 | ALK | Homo sapiens | Human | PF12810 PF00629 PF07714 | 7.4 | IC50 | ChEMBL;BindingDB |
| P06213 | INSR | Homo sapiens | Human | PF00757 PF17870 PF07714 PF01030 | 6.0 | IC50 | ChEMBL;BindingDB |