Molecule Details
| InChIKey | IISBACLAFKSPIT-UHFFFAOYSA-N |
|---|---|
| Compound Name | Bisphenol A |
| Canonical SMILES | CC(C)(c1ccc(O)cc1)c1ccc(O)cc1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 3 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 6.9 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB06973 |
|---|---|
| Drug Name | Bisphenol A |
| CAS Number | 80-05-7 |
| Groups | experimental |
| ATC Codes | nan |
| Description | nan |
Categories: Air Pollutants Air Pollutants, Occupational Antioxidants Benzene Derivatives Benzopyrans Bisphenols Environmental Pollutants Estrogens Estrogens, Non-Steroidal Free Radical Scavengers Heterocyclic Compounds, Fused-Ring Hormones Hormones, Hormone Substitutes, and Hormone Antagonists Phenols Pyrans Toxic Actions
Cross-references: BindingDB: 29608 ChEBI: 33216 CHEMBL418971 ChemSpider: 6371 C13624 PDB: 2OH PubChem:6623 PubChem:99443444 RxCUI: 1433347 Wikipedia: Bisphenol_A ZINC: ZINC000000056434