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

General Information of Drug (ID: DR5328)
Drug Name
Loxoprofen gel
Synonyms
Loxonin; Loxoprofen; Loxonin Pap; Loxonin Tape; CS-600G; LX-A; LX-P; Loxonin Gel 1%; Lipoxin A, Daiichi Sankyo/Lead Chemical; Lipoxin A, Sankyo/ Lead Chemical; Loxoprofen (gel, pain/ inflammation), Daiichi Sankyo; Loxoprofen (gel, pain/ inflammation), Sankyo; Loxoprofen (patch, pain/inflammation), Daiichi Sankyo/ Lead Chemical; Loxoprofen (patch, pain/inflammation), Sankyo/ Lead Chemical
Indication Inflammation [ICD11: 1A00-CA43] Approved [1]
Structure
3D MOL 2D MOL
Pharmaceutical Properties Molecular Weight 246.3 Topological Polar Surface Area 54.4
Heavy Atom Count 18 Rotatable Bond Count 4
Hydrogen Bond Donor Count 1 Hydrogen Bond Acceptor Count 3
Cross-matching ID
PubChem CID
3965
CAS Number
7-14-6
TTD Drug ID
D0LR4B
Formula
C15H18O3
Canonical SMILES
CC(C1=CC=C(C=C1)CC2CCCC2=O)C(=O)O
InChI
InChI=1S/C15H18O3/c1-10(15(17)18)12-7-5-11(6-8-12)9-13-3-2-4-14(13)16/h5-8,10,13H,2-4,9H2,1H3,(H,17,18)
InChIKey
YMBXTVYHTMGZDW-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
Loxoprofen cis-OH metabolite DM015820
13148394
Reduction - Reduction 1 [4] , [2]
Loxoprofen gel metabolite M14 DM017029 N. A. Unclear - Unclear 1 [4] , [2]
Loxoprofen gel metabolite M3 DM017027 N. A. Unclear - Unclear 1 [4] , [2]
Loxoprofen gel metabolite M9 DM017028 N. A. Unclear - Unclear 1 [4]
Loxoprofen trans-OH metabolite DM017022 N. A. Reduction - Reduction 1 [4] , [2]
Loxoprofen gel metabolite M11 DM017024 N. A. Unclear - Unclear 2 [4]
Loxoprofen gel metabolite M12 DM017025 N. A. Unclear - Unclear 2 [4]
Loxoprofen gel metabolite M16 DM017026 N. A. Unclear - Unclear 2 [4] , [2]
Loxoprofen gel metabolite M6 DM017023 N. A. Unclear - Unclear 2 [4]
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR007954 Loxoprofen gel Loxoprofen trans-OH metabolite Reduction - Reduction CBR1 [4], [2]
MR007959 Loxoprofen gel Loxoprofen cis-OH metabolite Reduction - Reduction CBR1 [4], [2]
MR007964 Loxoprofen gel Loxoprofen gel metabolite M3 Unclear - Unclear CYP3A4 ... [4], [2]
MR007965 Loxoprofen gel Loxoprofen gel metabolite M9 Unclear - Unclear Unclear [4]
MR007966 Loxoprofen gel Loxoprofen gel metabolite M14 Unclear - Unclear UGT2B7 [4], [2]
MR007960 Loxoprofen cis-OH metabolite Loxoprofen gel metabolite M6 Unclear - Unclear Unclear [4]
MR007961 Loxoprofen cis-OH metabolite Loxoprofen gel metabolite M11 Unclear - Unclear Unclear [4]
MR007962 Loxoprofen cis-OH metabolite Loxoprofen gel metabolite M12 Unclear - Unclear Unclear [4]
MR007963 Loxoprofen cis-OH metabolite Loxoprofen gel metabolite M16 Unclear - Unclear UGT2B7 [4], [2]
MR007955 Loxoprofen trans-OH metabolite Loxoprofen gel metabolite M6 Unclear - Unclear Unclear [4]
MR007956 Loxoprofen trans-OH metabolite Loxoprofen gel metabolite M11 Unclear - Unclear Unclear [4]
MR007957 Loxoprofen trans-OH metabolite Loxoprofen gel metabolite M12 Unclear - Unclear Unclear [4]
MR007958 Loxoprofen trans-OH metabolite Loxoprofen gel metabolite M16 Unclear - Unclear UGT2B7 [4], [2]
⏷ Show the Full List of 13 MR(s)
Drug-Metabolizing Enzyme(s) (DME) Metabolizing This Drug
DME Name DME Info Species Uniprot ID EC Number REF
Cytochrome P450 3A4 (CYP3A4) DME0001 Homo sapiens
CP3A4_HUMAN
1.14.14.55
[2]
Cytochrome P450 3A5 (CYP3A5) DME0012 Homo sapiens
CP3A5_HUMAN
1.14.14.1
[2]
Dehydrogenase/reductase SDR family member 11 (DHRS11) DMEN863 Homo sapiens
DHR11_HUMAN
1.1.1.270
[3]
NADPH-dependent carbonyl reductase 1 (CBR1) DME0067 Homo sapiens
CBR1_HUMAN
1.1.1.184
[2]
UDP-glucuronosyltransferase 2B7 (UGT2B7) DME0040 Homo sapiens
UD2B7_HUMAN
2.4.1.17
[2]
References
1 Drugs@FDA. U.S. Food and Drug Administration. U.S. Department of Health & Human Services. 2015
2 Exploring the metabolism of loxoprofen in liver microsomes: the role of cytochrome P450 and UDP-glucuronosyltransferase in its biotransformation. Pharmaceutics. 2018 Aug 2;10(3). pii: E112.
3 Human dehydrogenase/reductase (SDR family) member 11 is a novel type of 17-hydroxysteroid dehydrogenase
4 Identification of sulfonyl-loxoprofen as novel phase 2 conjugate in rat

If you find any error in data or bug in web service, please kindly report it to Dr. Yin and Dr. Li.