Details of the Drug

General Information of Drug (ID: DMNEAJG)

Drug Name
Medrogestone
Synonyms
Colpro; Colprone; Etogyn; MEDROGESTONE; Medrogesterone; Medrogeston; Medrogestona; Medrogestona [INN-Spanish]; Medrogestone (USAN/INN); Medrogestone [USAN:INN:BAN]; Medrogestonum; Medrogestonum [INN-Latin]; Metrogestone; Prothil; R 13615; SCHEMBL140614; 077DN93G5B; 6,17-Dimethyl-6-dehydroprogesterone; 6,17-Dimethylpregna-4,6-diene-3,20-dione; 6-Methyl-6-dehydro-17-methylprogesterone; 977-79-7; AY 13615S; AY-62022; BRN 2302887; EINECS 213-555-0; NSC 123018; NSC-123018; Pregna-4,6-diene-3,20-dione, 6,17-dimethyl-; UNII-077DN93G5B
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 340.5
Logarithm of the Partition Coefficient (xlogp) 4.1
Rotatable Bond Count (rotbonds) 1
Hydrogen Bond Donor Count (hbonddonor) 0
Hydrogen Bond Acceptor Count (hbondacc) 2
ADMET Property
Absorption Tmax
The time to maximum plasma concentration (Tmax) is 2 h [1]
Half-life
The concentration or amount of drug in body reduced by one-half in 4 hours [2]
Chemical Identifiers
Formula
C23H32O2
IUPAC Name
(8R,9S,10R,13S,14S,17S)-17-acetyl-6,10,13,17-tetramethyl-2,8,9,11,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthren-3-one
Canonical SMILES
CC1=CC2C(CCC3(C2CCC3(C)C(=O)C)C)C4(C1=CC(=O)CC4)C
InChI
HCFSGRMEEXUOSS-JXEXPEPMSA-N
InChIKey
1S/C23H32O2/c1-14-12-17-18(21(3)9-6-16(25)13-20(14)21)7-11-23(5)19(17)8-10-22(23,4)15(2)24/h12-13,17-19H,6-11H2,1-5H3/t17-,18+,19+,21-,22-,23+/m1/s1
Cross-matching ID
PubChem CID
9949848
ChEBI ID
CHEBI:135446
CAS Number
977-79-7
DrugBank ID
DB09124
INTEDE ID
DR1010

Molecular Interaction Atlas of This Drug


Drug-Metabolizing Enzyme (DME)
DME Name DME ID UniProt ID MOA REF
Cytochrome P450 3A4 (CYP3A4)
Main DME 		DE4LYSA CP3A4_HUMAN Substrate [3]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 Understanding the pharmacokinetics of anxiolytic drugs. Expert Opin Drug Metab Toxicol. 2013 Apr;9(4):423-40. doi: 10.1517/17425255.2013.759209. Epub 2013 Jan 21.
2 Trend Analysis of a Database of Intravenous Pharmacokinetic Parameters in Humans for 1352 Drug Compounds
3 Metabolism of medroxyprogesterone acetate (MPA) via CYP enzymes in vitro and effect of MPA on bleeding time in female rats in dependence on CYP activity in vivo. Life Sci. 2003 Nov 7;73(25):3201-12.