Details of the Drug

General Information of Drug (ID: DMRP8XB)

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
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 328.4
Logarithm of the Partition Coefficient (xlogp) 2
Rotatable Bond Count (rotbonds) 1
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 3
Chemical Identifiers
Formula
C21H28O3
IUPAC Name
(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
Canonical SMILES
CC1=CC2C(CCC3(C2CCC3(C(=O)C)O)C)C4C1=CC(=O)CC4
InChI
KZUIYQJTUIACIG-YBZCJVABSA-N
InChIKey
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
Cross-matching ID
PubChem CID
68783
ChEBI ID
CHEBI:135993
CAS Number
58691-88-6
DrugBank ID
DB11636
INTEDE ID
DR1171

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 [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 Progestogens in menopausal hormone therapy. Prz Menopauzalny. 2015 Jun;14(2):134-43.