Details of the Drug Metabolized by Drug-Metabolizing Enzyme (DME)

General Information of Drug (ID: DR0651)
Drug Name
Estropipate
Synonyms
Estropipate; Harmogen; OGEN .625; OGEN 1.25; OGEN 2.5; OGEN 5; Piperazine estrone sulfate; Piperazine estronesulfate; Estrone sulfate piperazine salt; Piperazine oestrone sulphate; SVI38UY019; Sulestrex; 7280-37-7; EINECS 230-696-3; Estra-1,3,5(10)-trien-17-one, 3-(sulfooxy)-, compd. with piperazine (1:1); UNII-SVI38UY019; piperazine (8R,9S,13S,14S)-13-methyl-17-oxo-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthren-3-yl sulfate
Indication Hypogonadism [ICD11: 5A61] Approved [1]
Structure
3D MOL is unavailable 2D MOL
Pharmaceutical Properties Molecular Weight 436.6 Topological Polar Surface Area 113
Heavy Atom Count 30 Rotatable Bond Count 2
Hydrogen Bond Donor Count 3 Hydrogen Bond Acceptor Count 7
Cross-matching ID
PubChem CID
5284555
ChEBI ID
CHEBI:4873
CAS Number
7280-37-7
TTD Drug ID
D03IUY
Formula
C22H32N2O5S
Canonical SMILES
CC12CCC3C(C1CCC2=O)CCC4=C3C=CC(=C4)OS(=O)(=O)O.C1CNCCN1
InChI
1S/C18H22O5S.C4H10N2/c1-18-9-8-14-13-5-3-12(23-24(20,21)22)10-11(13)2-4-15(14)16(18)6-7-17(18)19;1-2-6-4-3-5-1/h3,5,10,14-16H,2,4,6-9H2,1H3,(H,20,21,22);5-6H,1-4H2/t14-,15-,16+,18+;/m1./s1
InChIKey
HZEQBCVBILBTEP-ZFINNJDLSA-N
The Metabolic Roadmap of This Drug
The Full List of Drug Metabolites (DM) of This Drug
DM Name DM ID PubChem ID Reaction DM Level REF
Estriol DM003060
5756
Unclear 1 [3]
Estrone DM003062
5870
Unclear 1 [3]
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR000966 Estropipate Estriol Unclear Unclear [3]
MR000967 Estropipate Estrone Unclear Unclear [3]
Drug-Metabolizing Enzyme(s) (DME) Metabolizing This Drug
DME Name DME Info Species Uniprot ID EC Number REF
Cytochrome P450 3A4 (CYP3A4) DME0001 Homo sapiens
CP3A4_HUMAN
1.14.14.55
[2]
References
1 Estropipate was approved by FDA. The 2020 official website of the U.S. Food and Drug Administration.
2 Estrogen regulation of the cytochrome P450 3A subfamily in humans. J Pharmacol Exp Ther. 2004 Nov;311(2):728-35.
3 DrugBank(Pharmacology-Metabolism)Estropipate

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