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

General Information of Drug (ID: DR2837)
Drug Name
PhIP glucuronide
Synonyms
A-D-Glucuronide; ZINC77271324; 1-Methyl-6-phenyl-N-(beta-D-glucopyranuronosyl)-1H-imidazo[4,5-b]pyridin-2-amine; 133084-70-5; 2-Amino-1-methyl-6-phenylimidazo[4,5-b]pyridine N-; DTXSID50747014; FT-0661931
Indication Pancreatic cancer [ICD11: 2C10] Investigative [1]
Structure
3D MOL 2D MOL
Pharmaceutical Properties Molecular Weight 400.4 Topological Polar Surface Area 150
Heavy Atom Count 29 Rotatable Bond Count 4
Hydrogen Bond Donor Count 5 Hydrogen Bond Acceptor Count 9
Cross-matching ID
PubChem CID
71313317
CAS Number
133084-70-5
Formula
C19H20N4O6
Canonical SMILES
CN1C2=C(N=CC(=C2)C3=CC=CC=C3)N=C1NC4C(C(C(C(O4)C(=O)O)O)O)O
InChI
1S/C19H20N4O6/c1-23-11-7-10(9-5-3-2-4-6-9)8-20-16(11)21-19(23)22-17-14(26)12(24)13(25)15(29-17)18(27)28/h2-8,12-15,17,24-26H,1H3,(H,27,28)(H,20,21,22)/t12-,13-,14+,15-,17+/m0/s1
InChIKey
SQVPGYDPSLNFET-KSXIZUIISA-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
PhIP DM004191
1530
Unclear 1 [2]
PhIP-M1 DM004192 N. A. Unclear 2 [2]
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR012941 PhIP glucuronide PhIP Unclear FAEPRAA2165_01145 [2]
MR012942 PhIP PhIP-M1 Unclear [2]
Drug-Metabolizing Enzyme(s) (DME) Metabolizing This Drug
DME Name DME Info Species Uniprot ID EC Number REF
beta-galactosidase (FAEPRAA2165_01145) DMEN220 Faecalibacterium prausnitzii
C7H4D2_FAEPA
3.2.1.23
[2]
Beta-glucuronidase (uidA) DME1210 Faecalibacterium prausnitzii
A0A173S5S4_9FIRM
3.2.1.31
[2]
References
1 Dietary mutagen exposure and risk of pancreatic cancer. Cancer Epidemiol Biomarkers Prev. 2007 Apr;16(4):655-61.
2 Gut microbial beta-glucuronidase and glycerol/diol dehydratase activity contribute to dietary heterocyclic amine biotransformation. BMC Microbiol. 2019 May 16;19(1):99.

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