Molecule Details
| InChIKey | VNBRGSXVFBYQNN-UHFFFAOYSA-N |
|---|---|
| Compound Name | Bms-777607 |
| Canonical SMILES | CCOc1ccn(-c2ccc(F)cc2)c(=O)c1C(=O)Nc1ccc(Oc2ccnc(N)c2Cl)c(F)c1 |
| Clinical Status | Clinical Multi-Target |
| Targets (Human+Pathogen) | 22 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 7.23 |
| Source | ChEMBL;BindingDB;TTD_MultiTarget |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB12064 |
|---|---|
| Drug Name | BMS-777607 |
| CAS Number | 1025720-94-8 |
| Groups | investigational |
| ATC Codes | nan |
| Description | BMS-777607 has been investigated for the basic science of Malignant Solid Tumour. |
Categories: Amines Pyridines
Cross-references: BindingDB: 28031 ChEBI: 91409 CHEMBL460702 ChemSpider: 21437043 PDB: 353 PubChem:24794418 PubChem:347828373 ZINC: ZINC000039716080
Target Activities (22)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P30530 | AXL | Homo sapiens | Human | PF00041 PF13927 PF07714 | 8.8 | IC50 | ChEMBL;BindingDB |
| Q04912 | MST1R | Homo sapiens | Human | PF07714 PF01437 PF01403 PF01833 | 8.7 | IC50 | ChEMBL;BindingDB |
| P08581 | MET | Homo sapiens | Human | PF07714 PF01437 PF01403 PF01833 | 8.4 | IC50 | ChEMBL;BindingDB |
| Q06418 | TYRO3 | Homo sapiens | Human | PF00041 PF07679 PF07714 | 8.4 | IC50 | ChEMBL |
| Q12866 | MERTK | Homo sapiens | Human | PF00041 PF00047 PF13927 PF07714 | 7.8 | IC50 | ChEMBL;BindingDB |
| P36888 | FLT3 | Homo sapiens | Human | PF00047 PF07714 | 7.8 | IC50 | ChEMBL;BindingDB |
| Q02161 | RHD | Homo sapiens | Human | PF00909 | 7.6 | pIC50 | TTD_MultiTarget |
| P16234 | PDGFRA | Homo sapiens | Human | PF07679 PF25305 PF07714 | 7.5 | IC50 | ChEMBL;BindingDB |
| Q08345 | DDR1 | Homo sapiens | Human | PF21114 PF00754 PF07714 | 7.4 | Kd | ChEMBL |
| Q16832 | DDR2 | Homo sapiens | Human | PF21114 PF00754 PF07714 | 7.2 | Kd | ChEMBL |
| Q96GD4 | AURKB | Homo sapiens | Human | PF00069 | 7.1 | IC50 | ChEMBL |
| P06239 | LCK | Homo sapiens | Human | PF07714 PF00017 PF00018 | 6.9 | IC50 | ChEMBL |
| P10721 | KIT | Homo sapiens | Human | PF00047 PF07714 | 6.8 | IC50 | ChEMBL;BindingDB |
| P35968 | KDR | Homo sapiens | Human | PF07679 PF00047 PF13895 PF22971 PF07714 PF21339 PF17988 PF22854 | 6.8 | IC50 | ChEMBL;BindingDB |
| O75716 | STK16 | Homo sapiens | Human | PF00069 | 6.7 | pIC50 | TTD_MultiTarget |
| Q16620 | NTRK2 | Homo sapiens | Human | PF07679 PF13855 PF16920 PF01462 PF07714 | 6.7 | IC50 | ChEMBL |
| P04629 | NTRK1 | Homo sapiens | Human | PF13855 PF16920 PF07714 PF18613 | 6.5 | IC50 | ChEMBL |
| O00444 | PLK4 | Homo sapiens | Human | PF00069 PF18190 PF18409 | 6.5 | Kd | ChEMBL |
| P42685 | FRK | Homo sapiens | Human | PF07714 PF00017 PF00018 | 6.5 | Kd | ChEMBL |
| P00519 | ABL1 | Homo sapiens | Human | PF08919 PF07714 PF00017 PF00018 | 6.3 | Kd | ChEMBL |
| P17612 | PRKACA | Homo sapiens | Human | PF00069 | 6.3 | IC50 | ChEMBL |
| P07949 | RET | Homo sapiens | Human | PF00028 PF07714 PF17756 PF17812 PF17813 PF22540 | 6.2 | IC50 | ChEMBL;BindingDB |
DrugBank Target Actions (1)
| Target | Gene | Target Name | Action | Type |
|---|---|---|---|---|
| P08581 | MET | Hepatocyte growth factor receptor | inhibitor | targets |