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

General Information of Drug (ID: DR5572)
Drug Name
Sarpogrelate
Synonyms
Sarpogrelate [INN]; Sarpogrelate (INN); Butanedioic acid, mono[2-(dimethylamino)-1-[[2-[2-(3-methoxyphenyl)ethyl]phenoxy]methyl]ethyl] ester; 4-[1-(dimethylamino)-3-[2-[2-(3-methoxyphenyl)ethyl]phenoxy]propan-2-yl]oxy-4-oxobutanoic acid; 4-{[1-(dimethylamino)-3-{2-[2-(3-methoxyphenyl)ethyl]phenoxy}propan-2-yl]oxy}-4-oxobutanoic acid
Indication Diabetic complication [ICD11: 5A2Y] Approved [1]
Structure
3D MOL 2D MOL
Pharmaceutical Properties Molecular Weight 429.5 Topological Polar Surface Area 85.3
Heavy Atom Count 31 Rotatable Bond Count 14
Hydrogen Bond Donor Count 1 Hydrogen Bond Acceptor Count 7
Cross-matching ID
PubChem CID
5160
ChEBI ID
CHEBI:135697
CAS Number
125926-17-2
TTD Drug ID
D0G6VL
Formula
C24H31NO6
Canonical SMILES
CN(C)CC(COC1=CC=CC=C1CCC2=CC(=CC=C2)OC)OC(=O)CCC(=O)O
InChI
InChI=1S/C24H31NO6/c1-25(2)16-21(31-24(28)14-13-23(26)27)17-30-22-10-5-4-8-19(22)12-11-18-7-6-9-20(15-18)29-3/h4-10,15,21H,11-14,16-17H2,1-3H3,(H,26,27)
InChIKey
FFYNAVGJSYHHFO-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
Sarpogrelate metabolite M-1 DM015399
3070706
Conjugation - Glucuronidation 1 [2]
Sarpogrelate N-glucuronide DM016867
165412065
Conjugation - Glucuronidation 1 [2]
Sarpogrelate O-glucuronide DM016805
156028073
Conjugation - Glucuronidation 1 [2]
M-1 N-glucuronide DM017564 N. A. Conjugation - Glucuronidation 2 [2]
SMG1 DM017565 N. A. Conjugation - Glucuronidation 2 [2]
SMG3 DM017566 N. A. Conjugation - Glucuronidation 2 [2]
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR008968 Sarpogrelate Sarpogrelate N-glucuronide Conjugation - Glucuronidation Unclear [2]
MR008970 Sarpogrelate Sarpogrelate metabolite M-1 Conjugation - Glucuronidation Unclear [2]
MR008974 Sarpogrelate Sarpogrelate O-glucuronide Conjugation - Glucuronidation Unclear [2]
MR008971 Sarpogrelate metabolite M-1 M-1 N-glucuronide Conjugation - Glucuronidation UGT1A4 [2]
MR008972 Sarpogrelate metabolite M-1 SMG1 Conjugation - Glucuronidation UGT1A9 [2]
MR008973 Sarpogrelate metabolite M-1 SMG3 Conjugation - Glucuronidation UGT2B4 [2]
MR008969 Sarpogrelate N-glucuronide M-1 N-glucuronide Conjugation - Glucuronidation Unclear [2]
⏷ Show the Full List of 7 MR(s)
Drug-Metabolizing Enzyme(s) (DME) Metabolizing This Drug
DME Name DME Info Species Uniprot ID EC Number REF
UDP-glucuronosyltransferase 1A4 (UGT1A4) DME0048 Homo sapiens
UD14_HUMAN
2.4.1.17
[2]
UDP-glucuronosyltransferase 1A9 (UGT1A9) DME0042 Homo sapiens
UD19_HUMAN
2.4.1.17
[2]
UDP-glucuronosyltransferase 2B4 (UGT2B4) DME0047 Homo sapiens
UD2B4_HUMAN
2.4.1.17
[2]
References
1 URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Ligand id: 210).
2 Glucuronidation of a sarpogrelate active metabolite is mediated by UDP-glucuronosyltransferases 1A4, 1A9, and 2B4

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