InChIKey	DNXHEGUUPJUMQT-CBZIJGRNSA-N
Compound Name	Estrone
Canonical SMILES	C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CCC2=O
Clinical Status	Data-mined Candidate
Targets (Human+Pathogen)	4
Pfam Stratification	Cross-Family
Avg pChEMBL	7.17
Source	ChEMBL;BindingDB

DrugBank ID	DB00655
Drug Name	Estrone
CAS Number	53-16-7
Groups	approved
ATC Codes	G03CC04 G03CA07
Description	Estrone, one of the major mammalian estrogens, is an aromatized C18 steroid with a 3-hydroxyl group and a 17-ketone. It is produced in vivo from androstenedione or from testosterone via estradiol. It is produced primarily in the ovaries, placenta, and in peripheral tissues (especially adipose tissue...

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Categories: 17-Ketosteroids Adrenal Cortex Hormones BCRP/ABCG2 Inhibitors Cytochrome P-450 CYP1A1 Substrates Cytochrome P-450 CYP1A2 Substrates Cytochrome P-450 CYP2B6 Substrates Cytochrome P-450 CYP2C9 Substrates Cytochrome P-450 CYP2E1 Substrates Cytochrome P-450 CYP3A Substrates Cytochrome P-450 CYP3A4 Substrates Cytochrome P-450 CYP3A5 Substrates Cytochrome P-450 Substrates Estradiol Congeners Estranes Estrenes Estrogens Fused-Ring Compounds Genito Urinary System and Sex Hormones Gonadal Hormones Gonadal Steroid Hormones Hormones Hormones, Hormone Substitutes, and Hormone Antagonists Ketosteroids Natural and Semisynthetic Estrogens, Plain OAT3/SLC22A8 Substrates OATP1B1/SLCO1B1 Inhibitors Organic Anion Transporting Polypeptide 2B1 Inhibitors P-glycoprotein inducers P-glycoprotein substrates Sex Hormones and Modulators of the Genital System Steroids Thyroxine-binding globulin inducers

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Cross-references: BindingDB: 17289 ChEBI: 17263 CHEMBL1405 ChemSpider: 5660 Drugs Product Database (DPD): 7445 Guide to Pharmacology: 2818 IUPHAR: 2818 C00468 D00067 PDB: J3Z PharmGKB: PA449512 PubChem:5870 PubChem:46505916 RxCUI: 4103 Therapeutic Targets Database: DAP001020 Wikipedia: Estrone ZINC: ZINC000013509425