Molecule Details
| InChIKey | IFRGXKKQHBVPCQ-UHFFFAOYSA-N |
|---|---|
| Compound Name | Onalespib |
| Canonical SMILES | CC(C)c1cc(C(=O)N2Cc3ccc(CN4CCN(C)CC4)cc3C2)c(O)cc1O |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 3 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 7.54 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB06306 |
|---|---|
| Drug Name | Onalespib |
| CAS Number | 912999-49-6 |
| Groups | investigational |
| ATC Codes | nan |
| Description | nan |
Categories: Acids, Carbocyclic Amides Benzene Derivatives Benzoates HSP90 Heat-Shock Proteins, antagonists & inhibitors Heterocyclic Compounds, Fused-Ring
Cross-references: BindingDB: 50005782 ChEBI: 140592 CHEMBL1214827 ChemSpider: 10129992 PDB: XJX ZINC: ZINC000043208226
Target Activities (3)
DrugBank Target Actions (1)
| Target | Gene | Target Name | Action | Type |
|---|---|---|---|---|
| P07900 | HSP90AA1 | Heat shock protein HSP 90-alpha | inhibitor | targets |