Molecule Details
| InChIKey | MCTXSDCWFQAGFS-UEXNTNOUSA-N |
|---|---|
| Compound Name | Henatinib |
| Canonical SMILES | Cc1c(/C=C2\C(=O)Nc3ccc(F)cc32)[nH]c2c1C(=O)N(C[C@H](O)CN1CCOCC1)CCC2 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 3 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 7.88 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB13019 |
|---|---|
| Drug Name | Henatinib |
| CAS Number | 1239269-51-2 |
| Groups | investigational |
| ATC Codes | nan |
| Description | Henatinib has been used in trials studying the treatment of Advanced Solid Cancer. |
Categories: Heterocyclic Compounds, Fused-Ring Vascular Endothelial Growth Factors, antagonists & inhibitors
Cross-references: BindingDB: 50331032 CHEMBL1277072 ChemSpider: 26354883 PubChem:25116064 PubChem:347829153
Target Activities (3)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P10721 | KIT | Homo sapiens | Human | PF00047 PF07714 | 8.1 | IC50 | ChEMBL;BindingDB |
| P09619 | PDGFRB | Homo sapiens | Human | PF00047 PF13927 PF25305 PF07714 | 8.0 | IC50 | ChEMBL;BindingDB |
| P35968 | KDR | Homo sapiens | Human | PF07679 PF00047 PF13895 PF22971 PF07714 PF21339 PF17988 PF22854 | 7.6 | IC50 | ChEMBL;BindingDB |