Molecule Details
| InChIKey | RVAQIUULWULRNW-UHFFFAOYSA-N |
|---|---|
| Compound Name | Ganetespib |
| Canonical SMILES | CC(C)c1cc(-c2n[nH]c(=O)n2-c2ccc3c(ccn3C)c2)c(O)cc1O |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 4 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 7.32 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB12047 |
|---|---|
| Drug Name | Ganetespib |
| CAS Number | 888216-25-9 |
| Groups | investigational |
| ATC Codes | nan |
| Description | Ganetespib is under investigation for the treatment of BREAST CANCER, Small Cell Lung Cancer, Acute Myeloid Leukaemia, and Myelodysplastic Syndrome. |
Categories: HSP90 Heat-Shock Proteins, antagonists & inhibitors
Cross-references: BindingDB: 50439621 CHEMBL2103879 ChemSpider: 28189074 PDB: TUH PubChem:23624255 PubChem:347828358 ZINC: ZINC000043130413
Target Activities (4)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P14625 | HSP90B1 | Homo sapiens | Human | PF13589 PF00183 | 7.4 | IC50 | ChEMBL;BindingDB |
| Q12931 | TRAP1 | Homo sapiens | Human | PF13589 PF00183 | 7.4 | IC50 | ChEMBL;BindingDB |
| P07900 | HSP90AA1 | Homo sapiens | Human | PF13589 PF00183 | 7.3 | IC50 | ChEMBL;BindingDB |
| P08238 | HSP90AB1 | Homo sapiens | Human | PF13589 PF00183 | 7.2 | IC50 | ChEMBL;BindingDB |