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

General Information of Drug (ID: DR1654)
Drug Name
Tyropanoic acid
Synonyms
Acidum tyropanoicum; Bilopac; Bilopaque; LS-187166; SCHEMBL2788021; Sodium Tyropanoate (USAN); TYROPANIC ACID; Tyropanoate sodium(USAN; Tyropanoic acid; Tyropanoic acid sodium salt; Tyropaque; WIN 8851-2; tyropanoate; 2-(3-(Butyrylamino)-2,4,6-triiodobenzyl)butanoic acid; 2-(3-(Butyrylamino)-2,4,6-triiodobenzyl)butyric acid; 2-[3-(butyrylamino)-2,4,6-triiodobenzyl]butanoic acid; 27293-82-9; AC1L1KQH; AC1Q4PCM; API0012761; CHEBI:135862; CHEMBL1201261; CTK4F9414; DB09340; DTXSID5048269; EINECS 248-389-8; NSC107434
Indication Discovery agent Investigative [1]
Structure
3D MOL 2D MOL
Pharmaceutical Properties Molecular Weight 641.02 Topological Polar Surface Area 66.4
Heavy Atom Count 22 Rotatable Bond Count 7
Hydrogen Bond Donor Count 2 Hydrogen Bond Acceptor Count 3
Cross-matching ID
PubChem CID
5611
ChEBI ID
CHEBI:135862
CAS Number
27293-82-9
Formula
C15H18I3NO3
Canonical SMILES
CCCC(=O)NC1=C(C=C(C(=C1I)CC(CC)C(=O)O)I)I
InChI
1S/C15H18I3NO3/c1-3-5-12(20)19-14-11(17)7-10(16)9(13(14)18)6-8(4-2)15(21)22/h7-8H,3-6H2,1-2H3,(H,19,20)(H,21,22)
InChIKey
YMOXVLQZFAUUKI-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
Tyropanoate glucuronide DM004094 N. A. Unclear 1 [3]
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR004470 Tyropanoic acid Tyropanoate glucuronide Unclear Unclear [3]
Drug-Metabolizing Enzyme(s) (DME) Metabolizing This Drug
DME Name DME Info Species Uniprot ID EC Number REF
Beta-glucuronidase (GUSB) DME0106 Homo sapiens
BGLR_HUMAN
3.2.1.31
[2]
References
1 DrugBank 5.0: a major update to the DrugBank database for 2018. Nucleic Acids Res. 2018 Jan 4;46(D1):D1074-D1082. (id: DB09340)
2 Foreign Compound Metabolism in Mammals. Edited by D. E. Hathway.
3 Biliary and urinary excretion of tyropanoic acid and its Metabolites in the dog

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