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

General Information of Drug (ID: DR0490)
Drug Name
Dienogest
Synonyms
Dienogest; Dienogestrel; Dienogestril; Dienogestum; Dienogestum [Latin]; Dinagest; Endometrion; MJR-35; Natazia; STS 557; STS-557; Visanne; 17-alpha-Cyanomethyl-17-beta-hydroxy-estra-4,9(10)-dien-3-one; 17-alpha-Cyanomethyl-17-beta-hydroxyestra-4,9(10)-diene-3-one; 17alpha-17-Hydroxy-3-oxo-19-norpregna-4,9-diene-21-nitrile; 2-[(8S,13S,14S,17R)-17-hydroxy-13-methyl-3-oxo-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl]acetonitrile; 46M3EV8HHE; 65928-58-7; BAY 86-5258; BAY86-5258; CHEBI:70708; UNII-46M3EV8HHE
Indication Endometriosis [ICD11: GA10] Phase 4 [1]
Structure
3D MOL 2D MOL
Pharmaceutical Properties Molecular Weight 311.4 Topological Polar Surface Area 61.1
Heavy Atom Count 23 Rotatable Bond Count 1
Hydrogen Bond Donor Count 1 Hydrogen Bond Acceptor Count 3
Cross-matching ID
PubChem CID
68861
PubChem SID
8192399 ; 12012771 ; 14752221 ; 14850078 ; 17397887 ; 43125374 ; 49998342 ; 50654105 ; 53787601 ; 57317112 ; 71840301 ; 99005863 ; 99298842 ; 99437052 ; 103097914 ; 104234372 ; 104343255 ; 124757116 ; 125163920 ; 126667085 ; 135026289 ; 136340223 ; 137237593 ; 140148438 ; 141882083 ; 151979571 ; 152036099 ; 160645957 ; 162037518 ; 162201422 ; 164839922 ; 175265834 ; 179150876 ; 210279188 ; 210281511 ; 223365989 ; 223678058 ; 224222615 ; 226423123 ; 245054716 ; 252219969 ; 252308494
ChEBI ID
CHEBI:70708
CAS Number
65928-58-7
TTD Drug ID
D04CBI
Formula
C20H25NO2
Canonical SMILES
CC12CCC3=C4CCC(=O)C=C4CCC3C1CCC2(CC#N)O
InChI
1S/C20H25NO2/c1-19-8-6-16-15-5-3-14(22)12-13(15)2-4-17(16)18(19)7-9-20(19,23)10-11-21/h12,17-18,23H,2-10H2,1H3/t17-,18+,19+,20-/m1/s1
InChIKey
AZFLJNIPTRTECV-FUMNGEBKSA-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
Unclear DM009999 N. A. Unclear 1 [3]
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR007113 Dienogest Unclear Unclear CYP3A4 [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 (NCT02385448) Comparing the Use of Dienogest and Combined Oral Contraceptive Pills (Microgynon) to Reduce the Risk of Recurrence of Endometriotic Cyst After Conservative Surgery.
2 Progestogens in menopausal hormone therapy. Prz Menopauzalny. 2015 Jun;14(2):134-43.
3 LABEL: NATAZIA- estradiol valerate and estradiol valerate/dienogest kit

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