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

General Information of Drug (ID: DR2998)
Drug Name
R-ketoprofen
Synonyms
(R)-Ketoprofen; 56105-81-8; (R)-Ketoprophen; UNII-S03709D0TH; (R)-(-)-Ketoprofen; (R)-2-(3-benzoylphenyl)propanoic acid; CHEMBL372052; S03709D0TH; (R)-2-(3-Benzoylphenyl)propionic acid; Benzeneacetic acid,3-benzoyl-a-methyl-, (aR)-; Ketoprofen, (R)-; NCGC00016757-01; CAS-22071-15-4; (2R)-2-(3-benzoylphenyl)propanoic acid; Lopac-K-1751; SCHEMBL195303; ZINC2272; AC1L47D6; CTK5A4646; DTXSID50204652; DKYWVDODHFEZIM-LLVKDONJSA-N; BDBM50169048; AKOS022182275
Structure
3D MOL 2D MOL
Pharmaceutical Properties Molecular Weight 254.28 Topological Polar Surface Area 54.4
Heavy Atom Count 19 Rotatable Bond Count 4
Hydrogen Bond Donor Count 1 Hydrogen Bond Acceptor Count 3
Cross-matching ID
PubChem CID
180540
CAS Number
56105-81-8
TTD Drug ID
D0ZL4F
Formula
C16H14O3
Canonical SMILES
C[C@H](C1=CC(=CC=C1)C(=O)C2=CC=CC=C2)C(=O)O
InChI
InChI=1S/C16H14O3/c1-11(16(18)19)13-8-5-9-14(10-13)15(17)12-6-3-2-4-7-12/h2-11H,1H3,(H,18,19)/t11-/m1/s1
InChIKey
DKYWVDODHFEZIM-LLVKDONJSA-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
(S)-ketoprofen DM015337
667550
Unclear 1 [4]
3-Hydroxy ketoprofen DM002815
10659648
Oxidation - Hydroxylation 1 [2]
R-ketoprofen metabolite M1 DM017289 N. A. Conjugation - Glucuronidation 1 [3] , [2]
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR013738 R-ketoprofen (S)-ketoprofen Unclear Unclear [4]
MR013739 R-ketoprofen R-ketoprofen metabolite M1 Conjugation - Glucuronidation UGT1A2 [3], [2]
MR013740 R-ketoprofen 3-Hydroxy ketoprofen Oxidation - Hydroxylation CYP2C23 [2]
Drug-Metabolizing Enzyme(s) (DME) Metabolizing This Drug
DME Name DME Info Species Uniprot ID EC Number REF
Cytochrome P450 3A7 (CYP3A7) DME0015 Homo sapiens
CP3A7_HUMAN
1.14.14.1
[1]
Cytochrome P450 family 2 subfamily C member 23 (CYP2C23) DMEN766 . Not Available Not Available [2]
UDP-glucuronosyltransferase 1-2 (UGT1A2) DMEN765 . Not Available Not Available [3]
UDP-glucuronyltransferase (UGT) DMEN064 . Not Available Not Available [2]
References
1 Identification of Selective CYP3A7 and CYP3A4 Substrates and Inhibitors Using a High-Throughput Screening Platform. Front Pharmacol. 2022 Jul 1;13:899536. doi: 10.3389/fphar.2022.899536.
2 Ketoprofen in horses: Metabolism, pharmacokinetics, and effects on inflammatory biomarkers
3 High-performance liquid chromatographic enantioselective assay for the measurement of ketoprofen glucuronidation by liver microsomes
4 Inversion of (R)- to (S)-ketoprofen in eight animal species

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