Details of the Drug Metabolized by Drug-Metabolizing Enzyme (DME)

General Information of Drug (ID: DR0878)
Drug Name
CCRIS-1920
Synonyms
Ipriflavona; Ipriflavona [INN-Spanish]; Ipriflavone (Osteofix); Ipriflavone [INN:JAN]; Ipriflavonum; Ipriflavonum [INN-Latin]; Iprosten; Osten (TN); Osteochin; Osteofix; Osteoquine; Quinogin; Yambolap; ipriflavone; 3-phenyl-7-propan-2-yloxychromen-4-one; 35212-22-7; 7-(1-Methylethoxy)-3-phenyl-4H-1-benzopyran-4-one; 7-Isopropoxy-3-phenyl-4H-1-benzopyran-4-one; 7-Isopropoxyisoflavone; 7-isopropoxy-3-phenyl-4H-chromen-4-one; CCRIS 1920; FL 113; FL-113; MLS000069470; Osten; TC 80; UNII-80BJ7WN25Z
Indication Osteoporosis [ICD11: FB83] Phase 1/2 [1]
Structure
3D MOL 2D MOL
Pharmaceutical Properties Molecular Weight 280.3 Topological Polar Surface Area 35.5
Heavy Atom Count 21 Rotatable Bond Count 3
Hydrogen Bond Donor Count 0 Hydrogen Bond Acceptor Count 3
Cross-matching ID
PubChem CID
3747
PubChem SID
856008 ; 866504 ; 3154051 ; 3499521 ; 5243558 ; 7848401 ; 8152370 ; 12013104 ; 14873001 ; 24863826 ; 26719630 ; 29204277 ; 29215021 ; 29222867 ; 46386694 ; 47291224 ; 47885509 ; 49889733 ; 50100853 ; 50480753 ; 53790741 ; 56313751 ; 56422482 ; 57321972 ; 81093154 ; 87559041 ; 89258813 ; 92308425 ; 92710569 ; 99233462 ; 103418150 ; 103843467 ; 104304403 ; 108174579 ; 114917320 ; 117586186 ; 124365789 ; 124585253 ; 124658956 ; 124800959 ; 124883352 ; 124883353 ; 124883354 ; 125536904 ; 126631746 ; 126664382 ; 129226904 ; 135029160 ; 137115739 ; 142970897
ChEBI ID
CHEBI:31719
CAS Number
35212-22-7
TTD Drug ID
D0R2OA
Formula
C18H16O3
Canonical SMILES
CC(C)OC1=CC2=C(C=C1)C(=O)C(=CO2)C3=CC=CC=C3
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
The Metabolic Roadmap of This Drug
The Full List of Drug Metabolites (DM) of This Drug
DM Name DM ID PubChem ID Reaction DM Level REF
CCRIS-1920 Metabolite M1 DM005720
586088
Oxidation - Oxidationn 1 [5] , [6]
CCRIS-1920 Metabolite M3 DM005722
10469827
Oxidation - Oxidationn 1 [5] , [6]
CCRIS-1920 Metabolite M4 DM005716
101159250
Oxidation - Oxidationn 1 [5] , [6]
CCRIS-1920 Metabolite M2 DM005721
5281708
Unclear 2 [5] , [6]
CCRIS-1920 Metabolite M5 DM005717
3062797
Oxidation - Oxidationn 2 [5] , [6]
CCRIS-1920 Metabolite M6 DM005718
3062796
Unclear 3 [5] , [6]
CCRIS-1920 Metabolite M7 DM005719 N. A. Unclear 4 [5] , [6]
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR006099 CCRIS-1920 CCRIS-1920 Metabolite M4 Oxidation - Oxidationn CYP1A2 [5], [6]
MR006103 CCRIS-1920 CCRIS-1920 Metabolite M1 Oxidation - Oxidationn CYP3A4 [5], [6]
MR006105 CCRIS-1920 CCRIS-1920 Metabolite M3 Oxidation - Oxidationn CYP1A2 [5], [6]
MR006104 CCRIS-1920 Metabolite M1 CCRIS-1920 Metabolite M2 Unclear Unclear [5], [6]
MR006106 CCRIS-1920 Metabolite M3 CCRIS-1920 Metabolite M2 Unclear Unclear [5], [6]
MR006100 CCRIS-1920 Metabolite M4 CCRIS-1920 Metabolite M5 Oxidation - Oxidationn CYP1A2 [5], [6]
MR006101 CCRIS-1920 Metabolite M5 CCRIS-1920 Metabolite M6 Unclear Unclear [5], [6]
MR006102 CCRIS-1920 Metabolite M6 CCRIS-1920 Metabolite M7 Unclear Unclear [5], [6]
⏷ Show the Full List of 8 MR(s)
Drug-Metabolizing Enzyme(s) (DME) Metabolizing This Drug
DME Name DME Info Species Uniprot ID EC Number REF
Cytochrome P450 1A1 (CYP1A1) DME0006 Homo sapiens
CP1A1_HUMAN
1.14.14.1
[2]
Cytochrome P450 1A2 (CYP1A2) DME0003 Homo sapiens
CP1A2_HUMAN
1.14.14.1
[3]
Cytochrome P450 3A4 (CYP3A4) DME0001 Homo sapiens
CP3A4_HUMAN
1.14.14.55
[4]
References
1 Efficacy of ipriflavone in established osteoporosis and long-term safety. Calcif Tissue Int. 1997;61 Suppl 1:S23-7.
2 Effects of enzyme inducers and inhibitors on the pharmacokinetics of intravenous ipriflavone in rats. J Pharm Pharmacol. 2006 Apr;58(4):449-57.
3 Characterization of cytochrome P450s mediating ipriflavone metabolism in human liver microsomes. Xenobiotica. 2007 Mar;37(3):246-59.
4 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.
5 Cytochromes P450 and experimental models of drug metabolism. J Cell Mol Med. 2002 Apr-Jun;6(2):189-98.
6 Antiserotonergic properties of terguride in blood vessels, platelets, and valvular interstitial cells

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