Molecule Details
| InChIKey | IMSSROKUHAOUJS-MJCUULBUSA-N |
|---|---|
| Canonical SMILES | C#C[C@]1(O)CC[C@H]2[C@@H]3CCc4cc(OC)ccc4[C@H]3CC[C@@]21C |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 2 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 7.77 |
| Source | ChEMBL |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB01357 |
|---|---|
| Drug Name | Mestranol |
| CAS Number | 72-33-3 |
| Groups | approved withdrawn |
| ATC Codes | nan |
| Description | The 3-methyl ether of ethinyl estradiol. It must be demethylated to be biologically active. It is used as the estrogen component of many combination ORAL contraceptives. |
Categories: Adrenal Cortex Hormones Contraceptive Agents, Female Contraceptive Agents, Hormonal Contraceptives, Oral Contraceptives, Oral, Hormonal Cytochrome P-450 CYP2C8 Substrates Cytochrome P-450 CYP2C9 Substrates Cytochrome P-450 CYP3A Substrates Cytochrome P-450 CYP3A4 Substrates Cytochrome P-450 Substrates Estradiol Congeners Estrogen Contraceptives Estrogenic Steroids, Alkylated Estrogens Ethinyl Estradiol Fused-Ring Compounds Gonadal Hormones Gonadal Steroid Hormones Hormonal Contraceptives for Systemic Use Hormones Hormones, Hormone Substitutes, and Hormone Antagonists Hyperglycemia-Associated Agents Norpregnanes Norpregnatrienes Norsteroids Reproductive Control Agents Steroids Thyroxine-binding globulin inducers
Cross-references: ChEBI: 6784 CHEMBL1201151 ChemSpider: 6054 Drugs Product Database (DPD): 7429 C07618 D00575 PharmGKB: PA450388 PubChem:6291 PubChem:46507679 RxCUI: 6782 Therapeutic Targets Database: DAP001014 Wikipedia: Mestranol ZINC: ZINC000003815424