Molecule Details
| InChIKey | NDEXUOWTGYUVGA-LJQANCHMSA-N |
|---|---|
| Compound Name | PF-477736 |
| Canonical SMILES | Cn1cc(-c2[nH]c3cc(NC(=O)[C@H](N)C4CCCCC4)cc4c3c2C=NNC4=O)cn1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 12 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 7.55 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB12611 |
|---|---|
| Drug Name | PF-477736 |
| CAS Number | 952021-60-2 |
| Groups | investigational |
| ATC Codes | nan |
| Description | PF-00477736 has been used in trials studying the treatment of Neoplasms. |
Categories: Benzazepines Enzyme Inhibitors Heterocyclic Compounds, Fused-Ring Protein Kinase Inhibitors
Cross-references: CHEMBL3990456 ChemSpider: 21437055 PDB: 9DB PubChem:16750408 PubChem:347828825 ZINC: ZINC000100001820
Target Activities (12)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| O14757 | CHEK1 | Homo sapiens | Human | PF00069 | 9.3 | Ki | ChEMBL |
| P06493 | CDK1 | Homo sapiens | Human | PF00069 | 8.0 | Ki | ChEMBL |
| P35968 | KDR | Homo sapiens | Human | PF07679 PF00047 PF13895 PF22971 PF07714 PF21339 PF17988 PF22854 | 8.0 | IC50 | ChEMBL |
| P07333 | CSF1R | Homo sapiens | Human | PF00047 PF25305 PF07714 | 7.8 | IC50 | ChEMBL |
| P07947 | YES1 | Homo sapiens | Human | PF07714 PF00017 PF00018 | 7.7 | IC50 | ChEMBL |
| P22607 | FGFR3 | Homo sapiens | Human | PF21165 PF07679 PF13927 PF07714 | 7.5 | IC50 | ChEMBL |
| P36888 | FLT3 | Homo sapiens | Human | PF00047 PF07714 | 7.4 | IC50 | ChEMBL |
| O14965 | AURKA | Homo sapiens | Human | PF00069 | 7.3 | IC50 | ChEMBL |
| O96017 | CHEK2 | Homo sapiens | Human | PF00498 PF00069 | 7.3 | Ki | ChEMBL |
| P07949 | RET | Homo sapiens | Human | PF00028 PF07714 PF17756 PF17812 PF17813 PF22540 | 7.3 | IC50 | ChEMBL |
| P53671 | LIMK2 | Homo sapiens | Human | PF00412 PF00595 PF07714 | 6.6 | IC50 | ChEMBL;BindingDB |
| P53667 | LIMK1 | Homo sapiens | Human | PF00412 PF00595 PF07714 | 6.4 | IC50 | ChEMBL;BindingDB |
DrugBank Target Actions (1)
| Target | Gene | Target Name | Action | Type |
|---|---|---|---|---|
| O14757 | CHEK1 | Serine/threonine-protein kinase Chk1 | inhibitor | targets |