Details of the Drug

General Information of Drug (ID: DM64K0A)

Drug Name
Chlormadinone
Synonyms
Chlormadinon; Chlormadinone; Chlormadinone (INN); Chlormadinone [INN:BAN]; Chlormadinonum; Chlormadinonum [INN-Latin]; Clormadinona; Clormadinona [INN-Spanish]; Clormadinone; Clormadinone [DCIT]; SDS4N642GG; Tox21_112988; 1961-77-9; 6-Chloro-17-hydroxypregna-4,6-diene-3,20-dione; AC1NR4MV; BCP16136; C21H27ClO3; CHEMBL1697830; CTK8F8596; DSSTox_CID_2796; DSSTox_GSID_22796; DSSTox_RID_76731; DTXSID3022796; EINECS 217-802-3; MLS006010797; NCGC00181768-01; Pregna-4,6-diene-3,20-dione, 6-chloro-17-hydroxy-; SCHEMBL37291; UNII-SDS4N642GG
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 362.9
Logarithm of the Partition Coefficient (xlogp) 3
Rotatable Bond Count (rotbonds) 1
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 3
Chemical Identifiers
Formula
C21H27ClO3
IUPAC Name
(8R,9S,10R,13S,14S,17R)-17-acetyl-6-chloro-17-hydroxy-10,13-dimethyl-2,8,9,11,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthren-3-one
Canonical SMILES
CC(=O)C1(CCC2C1(CCC3C2C=C(C4=CC(=O)CCC34C)Cl)C)O
InChI
VUHJZBBCZGVNDZ-TTYLFXKOSA-N
InChIKey
1S/C21H27ClO3/c1-12(23)21(25)9-6-16-14-11-18(22)17-10-13(24)4-7-19(17,2)15(14)5-8-20(16,21)3/h10-11,14-16,25H,4-9H2,1-3H3/t14-,15+,16+,19-,20+,21+/m1/s1
Cross-matching ID
PubChem CID
5284533
CAS Number
1961-77-9
DrugBank ID
DB13528
INTEDE ID
DR0299

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 Drug interactions between rifamycin antibiotics and hormonal contraception: a systematic review. BJOG. 2018 Jun;125(7):804-811.