Molecule Details
| InChIKey | HUNAOTXNHVALTN-UHFFFAOYSA-N |
|---|---|
| Compound Name | 5-(5-chloro-2,4-dihydroxyphenyl)-N-ethyl-4-(4-methoxyphenyl)-1H-pyrazole-3-carboxamide |
| Canonical SMILES | CCNC(=O)c1n[nH]c(-c2cc(Cl)c(O)cc2O)c1-c1ccc(OC)cc1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 3 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 7.35 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB07495 |
|---|---|
| Drug Name | 5-(5-CHLORO-2,4-DIHYDROXYPHENYL)-N-ETHYL-4-(4-METHOXYPHENYL)-1H-PYRAZOLE-3-CARBOXAMIDE |
| CAS Number | nan |
| Groups | experimental |
| ATC Codes | nan |
| Description | nan |
Cross-references: BindingDB: 15372 ChEBI: 47273 CHEMBL365617 ChemSpider: 20120287 PDB: BSM PubChem:5327095 PubChem:99443966 ZINC: ZINC000004617893
Target Activities (3)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P07900 | HSP90AA1 | Homo sapiens | Human | PF13589 PF00183 | 7.6 | IC50 | ChEMBL;BindingDB |
| P08238 | HSP90AB1 | Homo sapiens | Human | PF13589 PF00183 | 7.6 | IC50 | ChEMBL;BindingDB |
| P15108 | HSC82 | Saccharomyces cerevisiae (strain ATCC 204508 / S288c) | Pathogen | PF13589 PF00183 | 6.8 | IC50 | ChEMBL |
DrugBank Target Actions (1)
| Target | Gene | Target Name | Action | Type |
|---|---|---|---|---|
| P07900 | HSP90AA1 | Heat shock protein HSP 90-alpha | binder | targets |