Molecule Details
| InChIKey | GBJVVSCPOBPEIT-UHFFFAOYSA-N |
|---|---|
| Compound Name | Barasertib |
| Canonical SMILES | CCN(CCCOc1ccc2c(Nc3cc(CC(=O)Nc4cccc(F)c4)[nH]n3)ncnc2c1)CCOP(=O)(O)O |
| Clinical Status | Clinical Multi-Target |
| Targets (Human+Pathogen) | 13 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 7.62 |
| Source | ChEMBL;BindingDB;TTD_MultiTarget |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB11747 |
|---|---|
| Drug Name | Barasertib |
| CAS Number | 722543-31-9 |
| Groups | investigational |
| ATC Codes | nan |
| Description | Barasertib has been used in trials studying the treatment of Tumors, Lymphoma, Solid Tumors, Solid Tumours, and Myeloid Leukemia, among others. |
Categories: Heterocyclic Compounds, Fused-Ring Organophosphorus Compounds Protein Kinase Inhibitors
Cross-references: BindingDB: 50241089 CHEMBL415049 ChemSpider: 9672789 PubChem:11497983 PubChem:347828104 ZINC: ZINC000043129461
Target Activities (13)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| Q96GD4 | AURKB | Homo sapiens | Human | PF00069 | 9.4 | IC50 | ChEMBL;BindingDB |
| O75716 | STK16 | Homo sapiens | Human | PF00069 | 9.0 | pIC50 | TTD_MultiTarget |
| O14965 | AURKA | Homo sapiens | Human | PF00069 | 8.1 | IC50 | ChEMBL;BindingDB |
| P36888 | FLT3 | Homo sapiens | Human | PF00047 PF07714 | 8.1 | Kd | ChEMBL;BindingDB |
| P10721 | KIT | Homo sapiens | Human | PF00047 PF07714 | 7.8 | Kd | ChEMBL;BindingDB |
| Q9UQB9 | AURKC | Homo sapiens | Human | PF00069 | 7.8 | IC50 | ChEMBL;BindingDB |
| P20340 | RAB6A | Homo sapiens | Human | PF00071 | 7.5 | Kd | ChEMBL |
| P16234 | PDGFRA | Homo sapiens | Human | PF07679 PF25305 PF07714 | 7.4 | Kd | ChEMBL;BindingDB |
| P09619 | PDGFRB | Homo sapiens | Human | PF00047 PF13927 PF25305 PF07714 | 7.4 | Kd | ChEMBL;BindingDB |
| Q13163 | MAP2K5 | Homo sapiens | Human | PF00564 PF00069 | 7.1 | Kd | ChEMBL |
| P07949 | RET | Homo sapiens | Human | PF00028 PF07714 PF17756 PF17812 PF17813 PF22540 | 7.0 | Kd | ChEMBL;BindingDB |
| P35968 | KDR | Homo sapiens | Human | PF07679 PF00047 PF13895 PF22971 PF07714 PF21339 PF17988 PF22854 | 6.5 | Ki | ChEMBL |
| P06239 | LCK | Homo sapiens | Human | PF07714 PF00017 PF00018 | 6.0 | Ki | ChEMBL |