Molecule Details
| InChIKey | ZFVRYNYOPQZKDG-MQMHXKEQSA-N |
|---|---|
| Canonical SMILES | CC1(C)CC(=O)c2c(C(F)(F)F)nn(-c3ccc(C(N)=O)c(N[C@H]4CC[C@H](O)CC4)c3)c2C1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 4 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 7.28 |
| Source | ChEMBL |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB17055 |
|---|---|
| Drug Name | SNX-2112 |
| CAS Number | 908112-43-6 |
| Groups | experimental |
| ATC Codes | nan |
| Description | SNX-2112 is a heat shock protein 90 (Hsp90) inhibitor.[A253137] |
Categories: HSP90 Heat-Shock Proteins, antagonists & inhibitors Heterocyclic Compounds, Fused-Ring
Cross-references: BindingDB: 50378702 CHEMBL560895 ChemSpider: 24624473 PDB: E0G ZINC: ZINC000102249129
Target Activities (4)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P07900 | HSP90AA1 | Homo sapiens | Human | PF13589 PF00183 | 8.4 | IC50 | ChEMBL |
| P08238 | HSP90AB1 | Homo sapiens | Human | PF13589 PF00183 | 8.3 | IC50 | ChEMBL |
| P14625 | HSP90B1 | Homo sapiens | Human | PF13589 PF00183 | 6.3 | Ki | ChEMBL |
| Q12931 | TRAP1 | Homo sapiens | Human | PF13589 PF00183 | 6.1 | IC50 | ChEMBL |
DrugBank Target Actions (1)
| Target | Gene | Target Name | Action | Type |
|---|---|---|---|---|
| P07900 | HSP90AA1 | Heat shock protein HSP 90-alpha | inhibitor | targets |