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
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 280.3
  Topological Polar Surface Area (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]

References

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• [22] Metabolism and metabolic inhibition of xanthotoxol in human liver microsomes. Evid Based Complement Alternat Med. 2016;2016:5416509.
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• [24] Metabolism of tamoxifen by recombinant human cytochrome P450 enzymes: formation of the 4-hydroxy, 4'-hydroxy and N-desmethyl metabolites and isomerization of trans-4-hydroxytamoxifen. Drug Metab Dispos. 2002 Aug;30(8):869-74.
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