Molecule Details
| InChIKey | WYZWZEOGROVVHK-GTMNPGAYSA-N |
|---|---|
| Compound Name | Radicicol |
| Canonical SMILES | C[C@@H]1C[C@H]2O[C@@H]2/C=C\C=C\C(=O)Cc2c(Cl)c(O)cc(O)c2C(=O)O1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 6 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 7.29 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB03758 |
|---|---|
| Drug Name | Radicicol |
| CAS Number | 12772-57-5 |
| Groups | experimental |
| ATC Codes | nan |
| Description | nan |
Categories: Anti-Infective Agents Antifungal Agents Antiparasitic Agents Antiprotozoals Enzyme Inhibitors Lactones Polyketides Tyrosine Kinase Inhibitors
Cross-references: BindingDB: 227589 ChEBI: 556075 CHEMBL414883 ChemSpider: 20137057 PDB: RDC PubChem:6323491 PubChem:46504837 Therapeutic Targets Database: DNC001195 Wikipedia: Radicicol ZINC: ZINC000013521629
Target Activities (6)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P07900 | HSP90AA1 | Homo sapiens | Human | PF13589 PF00183 | 7.8 | Kd | ChEMBL;BindingDB |
| P08238 | HSP90AB1 | Homo sapiens | Human | PF13589 PF00183 | 7.7 | IC50 | ChEMBL;BindingDB |
| P35354 | PTGS2 | Homo sapiens | Human | PF03098 | 7.6 | IC50 | ChEMBL |
| P16152 | CBR1 | Homo sapiens | Human | PF00106 | 6.3 | Ki | ChEMBL |
| P02829 | HSP82 | Saccharomyces cerevisiae (strain ATCC 204508 / S288c) | Pathogen | PF13589 PF00183 | 7.7 | Kd | ChEMBL |
| P15108 | HSC82 | Saccharomyces cerevisiae (strain ATCC 204508 / S288c) | Pathogen | PF13589 PF00183 | 6.7 | IC50 | ChEMBL |
DrugBank Target Actions (6)
| Target | Gene | Target Name | Action | Type |
|---|---|---|---|---|
| P08238 | HSP90AB1 | Heat shock protein HSP 90-beta | binder | targets |
| P0DM80 | P0DM80 | Virulence sensor histidine kinase PhoQ | binder | targets |
| P10515 | DLAT | Dihydrolipoyllysine-residue acetyltransferase component of pyruvate dehydrogenase complex, mitochondrial | binder | targets |
| P14625 | HSP90B1 | Endoplasmin | binder | targets |
| Q15120 | PDK3 | [Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 3, mitochondrial | binder | targets |
| P07900 | HSP90AA1 | Heat shock protein HSP 90-alpha | inhibitor | targets |