Molecule Details
| InChIKey | NSSOSHDCWCMNDM-UHFFFAOYSA-N |
|---|---|
| Compound Name | 3-(3-Fluoro-4-hydroxyphenyl)-7-hydroxy-1-naphthonitrile |
| Canonical SMILES | N#Cc1cc(-c2ccc(O)c(F)c2)cc2ccc(O)cc12 |
| Clinical Status | Clinical Multi-Target |
| Targets (Human+Pathogen) | 4 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 8.1 |
| Source | ChEMBL;BindingDB;TTD_MultiTarget |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB06875 |
|---|---|
| Drug Name | ERB-196 |
| CAS Number | 550997-55-2 |
| Groups | experimental |
| ATC Codes | nan |
| Description | nan |
Categories: Estrogen Receptor beta, agonists Naphthalenes
Cross-references: BindingDB: 50168348 CHEMBL192154 ChemSpider: 4810213 PDB: 196 PubChem:6102691 PubChem:99443346 Wikipedia: ERB-196 ZINC: ZINC000003816518
Target Activities (4)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P18505 | GABRB1 | Homo sapiens | Human | PF02931 PF02932 | 8.6 | pIC50 | TTD_MultiTarget |
| Q92731 | ESR2 | Homo sapiens | Human | PF12497 PF00104 PF00105 | 8.6 | IC50 | ChEMBL;BindingDB |
| P03372 | ESR1 | Homo sapiens | Human | PF12743 PF00104 PF02159 PF00105 | 6.7 | IC50 | ChEMBL;BindingDB |
| Q96WX4 | erg6 | Pneumocystis carinii (strain B80) | Pathogen | PF08241 PF08498 | 8.6 | pIC50 | TTD_MultiTarget |