Molecule Details
| InChIKey | BCSHRERPHLTPEE-NRFANRHFSA-N |
|---|---|
| Compound Name | Cep-37440 |
| Canonical SMILES | CNC(=O)c1ccccc1Nc1nc(Nc2ccc3c(c2OC)CCC[C@H](N2CCN(CCO)CC2)C3)ncc1Cl |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 3 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 7.86 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB13060 |
|---|---|
| Drug Name | CEP-37440 |
| CAS Number | 1391712-60-9 |
| Groups | investigational |
| ATC Codes | nan |
| Description | CEP-37440 has been used in trials studying the treatment of Solid Tumors. |
Categories: Acids, Carbocyclic Amides Benzene Derivatives Benzoates
Cross-references: BindingDB: 50193811 CHEMBL3951811 ChemSpider: 35308300 PubChem:71721648 PubChem:347829188 ZINC: ZINC000146905479
Target Activities (3)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| Q9UM73 | ALK | Homo sapiens | Human | PF12810 PF00629 PF07714 | 8.5 | IC50 | ChEMBL;BindingDB |
| Q05397 | PTK2 | Homo sapiens | Human | PF21477 PF00373 PF18038 PF03623 PF07714 | 7.9 | IC50 | ChEMBL;BindingDB |
| P06213 | INSR | Homo sapiens | Human | PF00757 PF17870 PF07714 PF01030 | 7.2 | IC50 | ChEMBL;BindingDB |
DrugBank Target Actions (1)
| Target | Gene | Target Name | Action | Type |
|---|---|---|---|---|
| Q05397 | PTK2 | Focal adhesion kinase 1 | modulator | targets |