4OH

(14beta,15alpha,16alpha,17alpha)-estra-1,3,5(10)-triene-3,15,16,17-tetrol

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is present as a standalone ligand in 1 entries

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Chemical Component Summary
Name	(14beta,15alpha,16alpha,17alpha)-estra-1,3,5(10)-triene-3,15,16,17-tetrol
Synonyms	Estra-1,3,5(10)-triene-3,15 alpha,16alpha,17beta-tetrol
Identifiers	(8R,9S,13S,14S,15R,16R,17R)-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,15,16,17-tetrol
Formula	C₁₈ H₂₄ O₄
Molecular Weight	304.381
Type	NON-POLYMER
Isomeric SMILES	C[C@]12CC[C@@H]3c4ccc(cc4CC[C@H]3[C@@H]1[C@H]([C@H]([C@@H]2O)O)O)O
InChI	InChI=1S/C18H24O4/c1-18-7-6-12-11-5-3-10(19)8-9(11)2-4-13(12)14(18)15(20)16(21)17(18)22/h3,5,8,12-17,19-22H,2,4,6-7H2,1H3/t12-,13-,14-,15-,16-,17+,18+/m1/s1
InChIKey	AJIPIJNNOJSSQC-NYLIRDPKSA-N

Chemical Details
Formal Charge	0
Atom Count	46
Chiral Atom Count	7
Bond Count	49
Aromatic Bond Count	6

Drug Info: DrugBank

DrugBank ID	DB12235
Name	Estetrol
Groups	investigational approved
Description	Naturally or synthetically produced steroid estrogens have a wide range of pharmaceutical uses ranging from hormonal contraception to the treatment of menopausal symptoms.[L33184] Estetrol (E4) is a native estrogen occurring naturally during pregnancy, but can be synthesized from a plant source and used for contraception.[L33179] It is more potent and is safer than the synthetic estrogen ethinylestradiol (EE2) found in 97% of oral contraceptive pills, reducing the environmental accumulation of unwanted endocrine disrupting chemicals (EDCs) that often lead to harmful epigenetic effects.[L33184] On April 15 2021, Mayne Pharma Group Limited and Mithra Pharmaceuticals were granted FDA approval for the oral contraceptive Estelle/Nextstellis, a combination of [drospirenone] and estetrol. Estetrol is the first new estrogen introduced to the USA in over 50 years and is the first approved estetrol product in the world. The combination of drospirenone and estetrol offers a new choice with a favourable safety profile for women seeking contraceptive therapy.[L33179] In Canada, Nextstellis was approved for use in March 2021; it was developed by Mithra and is marketed by Searchlight Pharma.[L33209]
Synonyms	15α-hydroxyestriol Estetrol monohydrate Estetrolum Estétrol Oestetrol Estetrol
Brand Names	Lydisilka Nextstellis Drovelis
Indication	Estetrol is indicated in combination with drospirenone for the prevention of pregnancy.[L33174]
Categories	Adrenal Cortex Hormones Contraceptives, Oral Cytochrome P-450 CYP3A Substrates Cytochrome P-450 CYP3A4 Substrates Cytochrome P-450 CYP3A4 Substrates (strength unknown) Cytochrome P-450 Substrates Estradiol Congeners Estranes Estrenes Estrogen Contraceptives Estrogens Estrogens, agonists Fused-Ring Compounds Genito Urinary System and Sex Hormones Gonadal Hormones Gonadal Steroid Hormones Hormonal Contraceptives for Systemic Use Hormones Hormones, Hormone Substitutes, and Hormone Antagonists Sex Hormones and Modulators of the Genital System Steroids UGT2B7 substrates
ATC-Code	G03AA18
CAS number	15183-37-6

Drug Targets

Name	Target Sequence	Pharmacological Action	Actions
Estrogen receptor alpha	MTMTLHTKASGMALLHQIQGNELEPLNRPQLKIPLERPLGEVYLDSSKPA...	unknown	agonist,modulator,regulator
Estrogen receptor beta	MDIKNSPSSLNSPSSYNCSQSILPLEHGSIYIPSSYVDSHHEYPAMTFYS...	unknown	agonist
Cytochrome P450 3A4	MALIPDLAMETWLLLAVSLVLLYLYGTHSHGLFKKLGIPGPTPLPFLGNI...	unknown	substrate
UDP-glucuronosyltransferase 2B7	MSVKWTSVILLIQLSFCFSSGNCGKVLVWAAEYSHWMNIKTILDELIQRG...	unknown	substrate
Serum albumin	MKWVTFISLLFLFSSAYSRGVFRRDAHKSEVAHRFKDLGEENFKALVLIA...	unknown	binder
Alpha-1-acid glycoprotein 1	MALSWVLTVLSLLPLLEAQIPLCANLVPVPITNATLDQITGKWFYIASAF...	unknown	binder
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Drug Info/Drug Targets: DrugBank 3.0: a comprehensive resource for 'omics' research on drugs. Knox C, Law V, Jewison T, Liu P, Ly S, Frolkis A, Pon A, Banco K, Mak C, Neveu V, Djoumbou Y, Eisner R, Guo AC, Wishart DS. Nucleic Acids Res. 2011 Jan; 39 (Database issue):D1035-41. | PMID:21059682