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

General Information of Drug (ID: DR1352)
Drug Name
Promegestone
Synonyms
Promegestona; Promegestona [INN-Spanish]; Promegestone; Promegestone (INN); Promegestone [INN]; Promegestonum; Promegestonum [INN-Latin]; Promestone; R 5020; R-5020; RU-5020; RU5020; Surgestone; (17beta)-17-methyl-17-propionylestra-4,9-dien-3-one; 17,21-dimethyl-19-norpregna-4,9(10)-diene-3,20-dione; 17alpha-Methyl-1,7-propionylestra-4,9-dien-3-one; 17alpha-methyl-17-propionylestra-4,9-dien-3-one; 34184-77-5; 9XE0V2SQYX; CHEBI:73390; Estra-4,9-dien-3-one, 17-alpha-methyl-17-propionyl-; R5020; UNII-9XE0V2SQYX; [3H]R5020
Indication Corpus luteum cyst [ICD11: GA18] Phase 4 [1]
Structure
3D MOL 2D MOL
Pharmaceutical Properties Molecular Weight 326.5 Topological Polar Surface Area 34.1
Heavy Atom Count 24 Rotatable Bond Count 2
Hydrogen Bond Donor Count 0 Hydrogen Bond Acceptor Count 2
Cross-matching ID
PubChem CID
36709
PubChem SID
7847018 ; 8174639 ; 12015547 ; 14777300 ; 34678110 ; 49965773 ; 50725339 ; 53790216 ; 56314166 ; 57311921 ; 71821474 ; 96025117 ; 103469392 ; 104324687 ; 129014230 ; 134999808 ; 135650855 ; 137248796 ; 162223417 ; 163425651 ; 172097280 ; 179150344 ; 184592601 ; 198934712 ; 226423485 ; 241063177
ChEBI ID
ChEBI:73390
CAS Number
34184-77-5
TTD Drug ID
D0F2AK
Formula
C22H30O2
Canonical SMILES
CCC(=O)C1(CCC2C1(CCC3=C4CCC(=O)C=C4CCC23)C)C
InChI
1S/C22H30O2/c1-4-20(24)22(3)12-10-19-18-7-5-14-13-15(23)6-8-16(14)17(18)9-11-21(19,22)2/h13,18-19H,4-12H2,1-3H3/t18-,19+,21+,22-/m1/s1
InChIKey
QFFCYTLOTYIJMR-XMGTWHOFSA-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
(21R)-hydroxy R 5020 DM004198 N. A. Unclear 1 [3]
(21S)-hydroxy R 5020 DM004197 N. A. Unclear 1 [3]
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR004591 Promegestone (21S)-hydroxy R 5020 Unclear Unclear [3]
MR004592 Promegestone (21R)-hydroxy R 5020 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 The Drugs.com International Drug Name Database: Promegestone
2 Progestogens in menopausal hormone therapy. Prz Menopauzalny. 2015 Jun;14(2):134-43.
3 Target tissue uptake selectivity of three fluorine-substituted progestins: potential imaging agents for receptor-positive breast tumors

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