Details of the Drug

General Information of Drug (ID: DM0IO13)

Drug Name
Ipriflavone
Synonyms Osten (TN)
Indication
Disease Entry ICD 11 Status REF
Osteoporosis FB83.0 Approved [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 280.3
Logarithm of the Partition Coefficient (xlogp) 4
Rotatable Bond Count (rotbonds) 3
Hydrogen Bond Donor Count (hbonddonor) 0
Hydrogen Bond Acceptor Count (hbondacc) 3
Chemical Identifiers
Formula
C18H16O3
IUPAC Name
3-phenyl-7-propan-2-yloxychromen-4-one
Canonical SMILES
CC(C)OC1=CC2=C(C=C1)C(=O)C(=CO2)C3=CC=CC=C3
InChI
InChI=1S/C18H16O3/c1-12(2)21-14-8-9-15-17(10-14)20-11-16(18(15)19)13-6-4-3-5-7-13/h3-12H,1-2H3
InChIKey
SFBODOKJTYAUCM-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
3747
ChEBI ID
CHEBI:31719
CAS Number
35212-22-7
DrugBank ID
DB13618
TTD ID
D0R2OA
INTEDE ID
DR0878

Molecular Interaction Atlas of This Drug


Drug-Metabolizing Enzyme (DME)
DME Name DME ID UniProt ID MOA REF
Cytochrome P450 3A4 (CYP3A4) DE4LYSA CP3A4_HUMAN Substrate [2]
Cytochrome P450 1A1 (CYP1A1) DE6OQ3W CP1A1_HUMAN Substrate [3]
Cytochrome P450 1A2 (CYP1A2) DEJGDUW CP1A2_HUMAN Substrate [4]

Drug Off-Target (DOT)
DOT Name DOT ID UniProt ID Interaction REF
Potassium voltage-gated channel subfamily H member 2 (KCNH2) OTZX881H KCNH2_HUMAN Gene/Protein Processing [5]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 Drugs@FDA. U.S. Food and Drug Administration. U.S. Department of Health & Human Services. 2015
2 Pharmacokinetics of ipriflavone and metabolites after oral administration of a corn-oil suspension relative to the Osteofix tablet. Am J Ther. 1997 Jul-Aug;4(7-8):229-38.
3 Effects of enzyme inducers and inhibitors on the pharmacokinetics of intravenous ipriflavone in rats. J Pharm Pharmacol. 2006 Apr;58(4):449-57.
4 Characterization of cytochrome P450s mediating ipriflavone metabolism in human liver microsomes. Xenobiotica. 2007 Mar;37(3):246-59.
5 Why are most phospholipidosis inducers also hERG blockers?. Arch Toxicol. 2017 Dec;91(12):3885-3895. doi: 10.1007/s00204-017-1995-9. Epub 2017 May 27.