Molecule Details
| InChIKey | LQVXSNNAFNGRAH-QHCPKHFHSA-N |
|---|---|
| Compound Name | Bms-754807 |
| Canonical SMILES | C[C@@]1(C(=O)Nc2ccc(F)nc2)CCCN1c1nc(Nc2cc(C3CC3)n[nH]2)c2cccn2n1 |
| Clinical Status | Clinical Multi-Target |
| Targets (Human+Pathogen) | 33 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 6.99 |
| Source | BindingDB;ChEMBL;TTD_MultiTarget |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB15399 |
|---|---|
| Drug Name | BMS-754807 |
| CAS Number | 1001350-96-4 |
| Groups | investigational |
| ATC Codes | nan |
| Description | BMS-754807 is under investigation in clinical trial NCT00908024 (Combination Study of BMS-754807 and Erbitux® in Subjects With Advanced or Metastatic Solid Tumors). |
Cross-references: BindingDB: 107000 ChEBI: 88339 CHEMBL575448 ChemSpider: 24637163 PDB: EBI ZINC: ZINC000043203317
Target Activities (33)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P06213 | INSR | Homo sapiens | Human | PF00757 PF17870 PF07714 PF01030 | 8.8 | IC50 | ChEMBL;BindingDB |
| P06729 | CD2 | Homo sapiens | Human | PF05790 PF07686 | 8.7 | pIC50 | TTD_MultiTarget |
| P24941 | CDK2 | Homo sapiens | Human | PF00069 | 8.7 | pIC50 | TTD_MultiTarget |
| P08069 | IGF1R | Homo sapiens | Human | PF00757 PF07714 PF01030 | 8.7 | IC50 | ChEMBL;BindingDB |
| Q16620 | NTRK2 | Homo sapiens | Human | PF07679 PF13855 PF16920 PF01462 PF07714 | 8.4 | IC50 | ChEMBL;BindingDB |
| P04629 | NTRK1 | Homo sapiens | Human | PF13855 PF16920 PF07714 PF18613 | 8.1 | IC50 | ChEMBL;BindingDB |
| Q05397 | PTK2 | Homo sapiens | Human | PF21477 PF00373 PF18038 PF03623 PF07714 | 8.0 | Kd | ChEMBL |
| P08581 | MET | Homo sapiens | Human | PF07714 PF01437 PF01403 PF01833 | 7.8 | IC50 | ChEMBL |
| O14965 | AURKA | Homo sapiens | Human | PF00069 | 7.5 | Kd | ChEMBL |
| Q04912 | MST1R | Homo sapiens | Human | PF07714 PF01437 PF01403 PF01833 | 7.4 | IC50 | ChEMBL |
| P14616 | INSRR | Homo sapiens | Human | PF00041 PF00757 PF07714 PF01030 | 7.3 | Kd | ChEMBL |
| Q96GD4 | AURKB | Homo sapiens | Human | PF00069 | 7.2 | IC50 | ChEMBL |
| O00444 | PLK4 | Homo sapiens | Human | PF00069 PF18190 PF18409 | 7.1 | Kd | ChEMBL |
| Q13470 | TNK1 | Homo sapiens | Human | PF07714 PF22931 | 6.8 | Kd | ChEMBL |
| P36888 | FLT3 | Homo sapiens | Human | PF00047 PF07714 | 6.8 | IC50 | ChEMBL |
| Q14289 | PTK2B | Homo sapiens | Human | PF21477 PF00373 PF18038 PF03623 PF07714 | 6.8 | Kd | ChEMBL |
| Q16288 | NTRK3 | Homo sapiens | Human | PF07679 PF00047 PF13855 PF16920 PF01462 PF07714 | 6.7 | Kd | ChEMBL |
| Q9HC98 | NEK6 | Homo sapiens | Human | PF00069 | 6.7 | Kd | ChEMBL |
| Q9UGJ0 | PRKAG2 | Homo sapiens | Human | PF00571 | 6.6 | Kd | ChEMBL |
| O60674 | JAK2 | Homo sapiens | Human | PF18379 PF18377 PF17887 PF07714 PF21990 | 6.5 | IC50 | ChEMBL |
| Q02763 | TEK | Homo sapiens | Human | PF00041 PF10430 PF07714 | 6.5 | Kd | ChEMBL |
| P54619 | PRKAG1 | Homo sapiens | Human | PF00571 | 6.4 | Kd | ChEMBL |
| P29317 | EPHA2 | Homo sapiens | Human | PF14575 PF25599 PF01404 PF00041 PF07714 PF00536 | 6.3 | Kd | BindingDB |
| P35590 | TIE1 | Homo sapiens | Human | PF00041 PF00047 PF07714 | 6.2 | Kd | ChEMBL |
| Q8TDX7 | NEK7 | Homo sapiens | Human | PF00069 | 6.2 | Kd | ChEMBL |
| Q8TD19 | NEK9 | Homo sapiens | Human | PF00069 PF25390 | 6.2 | Kd | ChEMBL |
| P07949 | RET | Homo sapiens | Human | PF00028 PF07714 PF17756 PF17812 PF17813 PF22540 | 6.2 | Kd | ChEMBL |
| P49841 | GSK3B | Homo sapiens | Human | PF00069 | 6.1 | IC50 | ChEMBL |
| P16591 | FER | Homo sapiens | Human | PF00611 PF07714 PF00017 | 6.1 | Kd | ChEMBL |
| P24864 | CCNE1 | Homo sapiens | Human | PF02984 PF00134 | 6.1 | IC50 | ChEMBL |
| Q08345 | DDR1 | Homo sapiens | Human | PF21114 PF00754 PF07714 | 6.1 | Kd | ChEMBL |
| Q13131 | PRKAA1 | Homo sapiens | Human | PF16579 PF21147 PF00069 | 6.1 | Kd | ChEMBL |
| P49137 | MAPKAPK2 | Homo sapiens | Human | PF00069 | 6.0 | IC50 | ChEMBL |