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

General Information of Drug (ID: DR1171)
Drug Name
Nomegestrol
Synonyms
Nomegestrol; Nomegestrol (USAN/INN); Nomegestrol [USAN:INN:BAN]; Nomegestrolum; Nomegestrolum [Latin]; SCHEMBL139763; Thermex; nomegestrol[inn]; Monaco; (8S,9S,10R,13S,14S,17R)-17-acetyl-17-hydroxy-6,13-dimethyl-1,2,8,9,10,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-one; 10F89177CO; 17-Hydroxy-6-methyl-19-nor-4,6-pregnadiene-3,20-dione; 17-Hydroxy-6-methyl-19-norpregna-4,6-diene-3,20-dione; 58691-88-6; AC1L2AFS; AC1Q6OH0; CHEBI:135993; CHEMBL2105722; UNII-10F89177CO
Indication Hypercoagulability [ICD11: 3B61] Phase 4 [1]
Structure
3D MOL 2D MOL
Pharmaceutical Properties Molecular Weight 328.4 Topological Polar Surface Area 54.4
Heavy Atom Count 24 Rotatable Bond Count 1
Hydrogen Bond Donor Count 1 Hydrogen Bond Acceptor Count 3
Cross-matching ID
PubChem CID
68783
ChEBI ID
CHEBI:135993
CAS Number
58691-88-6
Formula
C21H28O3
Canonical SMILES
CC1=CC2C(CCC3(C2CCC3(C(=O)C)O)C)C4C1=CC(=O)CC4
InChI
1S/C21H28O3/c1-12-10-18-16(15-5-4-14(23)11-17(12)15)6-8-20(3)19(18)7-9-21(20,24)13(2)22/h10-11,15-16,18-19,24H,4-9H2,1-3H3/t15-,16-,18-,19+,20+,21+/m1/s1
InChIKey
KZUIYQJTUIACIG-YBZCJVABSA-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
Nomegestrol metabolite ME2 DM002723 N. A. Unclear 1 [3]
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR001775 Nomegestrol Nomegestrol metabolite ME2 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 ClinicalTrials.gov (NCT03531437) Comparison of Coagulation Profiles Between Zoely and Minidoz: RCT.
2 Progestogens in menopausal hormone therapy. Prz Menopauzalny. 2015 Jun;14(2):134-43.
3 Effect of nomegestrol acetate on estrogen biosynthesis and transformation in MCF-7 and T47-D breast cancer cells J Steroid Biochem Mol Biol. 2005 Jan;93(1):1-13. doi: 10.1016/j.jsbmb.2004.11.004.

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