Molecule Details
| InChIKey | LXCFILQKKLGQFO-UHFFFAOYSA-N |
|---|---|
| Canonical SMILES | COC(=O)c1ccc(O)cc1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 2 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 6.1 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB14212 |
|---|---|
| Drug Name | Methylparaben |
| CAS Number | 99-76-3 |
| Groups | approved investigational |
| ATC Codes | nan |
| Description | Methylparaben is used in allergenic testing. |
Categories: Acids, Carbocyclic Benzene Derivatives Benzoates Cell-mediated Immunity Compounds used in a research, industrial, or household setting Hydroxy Acids Hydroxybenzoates Increased Histamine Release Pharmaceutic Aids Pharmaceutical Preparations Phenols Preservatives, Pharmaceutical Standardized Chemical Allergen
Cross-references: BindingDB: 50209100 ChEBI: 31835 CHEMBL325372 ChemSpider: 7176 D01400 PDB: MPB RxCUI: 29903 Wikipedia: Methylparaben ZINC: ZINC000000001712
Target Activities (2)
DrugBank Target Actions (1)
| Target | Gene | Target Name | Action | Type |
|---|---|---|---|---|
| O75762 | TRPA1 | Transient receptor potential cation channel subfamily A member 1 | activator | targets |