Molecule Details
| InChIKey | CSGQVNMSRKWUSH-IAGOWNOFSA-N |
|---|---|
| Compound Name | Bms-690514 |
| Canonical SMILES | COc1cccc(Nc2ncnn3ccc(CN4CC[C@@H](N)[C@H](O)C4)c23)c1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 21 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 6.62 |
| Source | BindingDB;ChEMBL |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB11665 |
|---|---|
| Drug Name | BMS-690514 |
| CAS Number | 859853-30-8 |
| Groups | investigational |
| ATC Codes | nan |
| Description | BMS-690514 has been investigated for the treatment of Breast Cancer. |
Categories: Carbon Radioisotopes
Cross-references: BindingDB: 185148 CHEMBL3545396 ChemSpider: 9524108 PubChem:11349170 PubChem:347828034 ZINC: ZINC000043152599
Target Activities (21)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| O14976 | GAK | Homo sapiens | Human | PF00069 PF10409 | 9.5 | Kd | ChEMBL;BindingDB |
| P07949 | RET | Homo sapiens | Human | PF00028 PF07714 PF17756 PF17812 PF17813 PF22540 | 7.5 | Kd | ChEMBL |
| P42684 | ABL2 | Homo sapiens | Human | PF08919 PF07714 PF00017 PF00018 | 7.4 | Kd | ChEMBL |
| Q9H0K1 | SIK2 | Homo sapiens | Human | PF00069 PF23312 | 7.3 | Kd | ChEMBL |
| P00519 | ABL1 | Homo sapiens | Human | PF08919 PF07714 PF00017 PF00018 | 6.9 | Kd | ChEMBL |
| Q9BZL6 | PRKD2 | Homo sapiens | Human | PF00130 PF00169 PF00069 PF25525 | 6.8 | Kd | ChEMBL |
| Q07912 | TNK2 | Homo sapiens | Human | PF09027 PF11555 PF07714 PF22931 PF14604 | 6.7 | Kd | ChEMBL |
| P00533 | EGFR | Homo sapiens | Human | PF00757 PF14843 PF07714 PF01030 PF21314 | 6.7 | Kd | ChEMBL;BindingDB |
| Q9NYL2 | MAP3K20 | Homo sapiens | Human | PF07714 PF07647 | 6.5 | Kd | ChEMBL |
| O94806 | PRKD3 | Homo sapiens | Human | PF00130 PF00169 PF00069 PF25525 | 6.3 | Kd | ChEMBL |
| P06239 | LCK | Homo sapiens | Human | PF07714 PF00017 PF00018 | 6.3 | Kd | ChEMBL |
| Q99759 | MAP3K3 | Homo sapiens | Human | PF00564 PF00069 | 6.3 | Kd | ChEMBL |
| P06241 | FYN | Homo sapiens | Human | PF07714 PF00017 PF00018 | 6.2 | Kd | ChEMBL |
| P08631 | HCK | Homo sapiens | Human | PF07714 PF00017 PF00018 | 6.2 | Kd | ChEMBL |
| Q13557 | CAMK2D | Homo sapiens | Human | PF08332 PF00069 | 6.2 | Kd | ChEMBL |
| Q13555 | CAMK2G | Homo sapiens | Human | PF08332 PF00069 | 6.1 | Kd | ChEMBL |
| P42685 | FRK | Homo sapiens | Human | PF07714 PF00017 PF00018 | 6.1 | Kd | ChEMBL |
| P07948 | LYN | Homo sapiens | Human | PF07714 PF00017 PF00018 | 6.0 | Kd | ChEMBL |
| P17612 | PRKACA | Homo sapiens | Human | PF00069 | 6.0 | Kd | ChEMBL |
| P29317 | EPHA2 | Homo sapiens | Human | PF14575 PF25599 PF01404 PF00041 PF07714 PF00536 | 6.0 | Kd | BindingDB |
| Q13163 | MAP2K5 | Homo sapiens | Human | PF00564 PF00069 | 6.0 | Kd | ChEMBL |
DrugBank Target Actions (4)
| Target | Gene | Target Name | Action | Type |
|---|---|---|---|---|
| P00533 | EGFR | Epidermal growth factor receptor | inhibitor | targets |
| P04626 | ERBB2 | Receptor tyrosine-protein kinase erbB-2 | inhibitor | targets |
| P35968 | KDR | Vascular endothelial growth factor receptor 2 | inhibitor | targets |
| P36888 | FLT3 | Receptor-type tyrosine-protein kinase FLT3 | inhibitor | targets |