InChIKey	BFPYWIDHMRZLRN-SLHNCBLASA-N
Compound Name	Ethinylestradiol
Canonical SMILES	C#C[C@]1(O)CC[C@H]2[C@@H]3CCc4cc(O)ccc4[C@H]3CC[C@@]21C
Clinical Status	Data-mined Candidate
Targets (Human+Pathogen)	10
Pfam Stratification	Cross-Family
Avg pChEMBL	6.96
Source	ChEMBL;BindingDB

DrugBank ID	DB00977
Drug Name	Ethinylestradiol
CAS Number	57-63-6
Groups	approved investigational
ATC Codes	G03AA15 G03AA11 L02AA03 G03AA12 G03AA16 G03AB02 G03CA01 G03AA03 G03AA10 G03AB04 G03AB01 G03AB07 G03AA13 G03AA06 G03AA08 G03AA02 G03AA04 G03AA09 G03AB09 G03AA07 G03AB03 G03AA05 G03AB05 G03AB06 G03AA01
Description	Ethinylestradiol was first synthesized in 1938 by Hans Herloff Inhoffen and Walter Hohlweg at Schering.[A191107] It was developed in an effort to create an estrogen with greater oral bioavailability.[A191107] These properties were achieved by the substitution of an ethinyl group at carbon 17 of [est...

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Categories: Adrenal Cortex Hormones Antineoplastic and Immunomodulating Agents BSEP/ABCB11 Inhibitors BSEP/ABCB11 inducers COMT Substrates Contraceptive Agents, Female Contraceptive Agents, Hormonal Contraceptives, Oral Contraceptives, Oral, Hormonal Contraceptives, Postcoital Cytochrome P-450 CYP1A2 Substrates Cytochrome P-450 CYP2C19 Inhibitors Cytochrome P-450 CYP2C19 inhibitors (strength unknown) Cytochrome P-450 CYP2C8 Inhibitors Cytochrome P-450 CYP2C8 Inhibitors (strength unknown) Cytochrome P-450 CYP2C8 Substrates Cytochrome P-450 CYP2C9 Substrates Cytochrome P-450 CYP3A Substrates Cytochrome P-450 CYP3A4 Substrates Cytochrome P-450 CYP3A5 Substrates Cytochrome P-450 Enzyme Inhibitors Cytochrome P-450 Substrates Endocrine Therapy Estradiol Congeners Estrogen Contraceptives Estrogenic Steroids, Alkylated Estrogens Fused-Ring Compounds Genito Urinary System and Sex Hormones Gonadal Hormones Gonadal Steroid Hormones Hormonal Contraceptives for Systemic Use Hormones Hormones and Related Agents Hormones, Hormone Substitutes, and Hormone Antagonists Hyperglycemia-Associated Agents Natural and Semisynthetic Estrogens, Plain Norpregnanes Norpregnatrienes Norsteroids P-glycoprotein substrates Progestogens and Estrogens, Sequential Preparations Reproductive Control Agents Sex Hormones and Modulators of the Genital System Steroids Thyroxine-binding globulin inducers UGT1A1 Inducers UGT1A1 Substrates UGT1A4 substrates UGT1A9 Substrates UGT2B7 substrates

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Cross-references: BindingDB: 50187243 ChEBI: 4903 CHEMBL691 ChemSpider: 5770 Drugs Product Database (DPD): 7426 C07534 D00554 PDB: 3WF PharmGKB: PA449527 PubChem:5991 PubChem:46508618 RxCUI: 4124 Therapeutic Targets Database: DAP001018 Wikipedia: Ethinylestradiol ZINC: ZINC000003812897