Molecule Details
| InChIKey | SUPVGFZUWFMATN-UHFFFAOYSA-N |
|---|---|
| Compound Name | Zelavespib |
| Canonical SMILES | CC(C)NCCCn1c(Sc2cc3c(cc2I)OCO3)nc2c(N)ncnc21 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 5 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 7.03 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB12638 |
|---|---|
| Drug Name | Zelavespib |
| CAS Number | 873436-91-0 |
| Groups | investigational |
| ATC Codes | nan |
| Description | Zelavespib (PU-H71) has been used in trials studying the treatment of LYMPHOMA, Solid Tumors, Metastatic Solid Tumor, and Myeloproliferative Neoplasms (MPN). |
Categories: Antineoplastic Agents Dioxoles Heterocyclic Compounds, Fused-Ring
Cross-references: BindingDB: 50180302 CHEMBL200102 ChemSpider: 7828134 PDB: H71 PubChem:9549213 PubChem:347828847 ZINC: ZINC000013679213
Target Activities (5)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P08238 | HSP90AB1 | Homo sapiens | Human | PF13589 PF00183 | 7.4 | IC50 | ChEMBL;BindingDB |
| P07900 | HSP90AA1 | Homo sapiens | Human | PF13589 PF00183 | 7.3 | IC50 | ChEMBL;BindingDB |
| P04626 | ERBB2 | Homo sapiens | Human | PF00757 PF14843 PF07714 PF01030 PF21314 | 7.0 | IC50 | ChEMBL;BindingDB |
| P14625 | HSP90B1 | Homo sapiens | Human | PF13589 PF00183 | 6.9 | IC50 | ChEMBL;BindingDB |
| Q12931 | TRAP1 | Homo sapiens | Human | PF13589 PF00183 | 6.6 | IC50 | ChEMBL;BindingDB |
DrugBank Target Actions (1)
| Target | Gene | Target Name | Action | Type |
|---|---|---|---|---|
| P08238 | HSP90AB1 | Heat shock protein HSP 90-beta | inhibitor | targets |