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

General Information of Drug (ID: DR1937)
Drug Name
ACMC-1AKLT
Synonyms
Maybridge1_006885; PubChem8688; SCHEMBL307508; ZINC57916; 2H-1-Benzopyran-2-one, 7-hydroxy-4-(trifluoromethyl)-; 4-(Trifluoromethyl)umbelliferone; 4-(trifluoromethyl)umbeilliferone; 575-03-1; 7,4-Hfc; 7-Hydroxy-4-(trifluoromethyl)-2H-chromen-2-one; 7-Hydroxy-4-(trifluoromethyl)coumarin; 7-Hydroxy-4-trifluoromethyl-chromen-2-one; 7-Hydroxy-4-trifluoromethylcoumarin; 7-hydroxy-4-(trifluoromethyl)chromen-2-one; AC1NT9P6; AC1Q795W; CCKWMCUOHJAVOL-UHFFFAOYSA-N; CHEMBL104679; CTK5A6979; HMS561A21; MFCD00037578; TFMU
Indication Discovery agent Investigative [1]
Structure
3D MOL 2D MOL
Pharmaceutical Properties Molecular Weight 230.14 Topological Polar Surface Area 46.5
Heavy Atom Count 16 Rotatable Bond Count 0
Hydrogen Bond Donor Count 1 Hydrogen Bond Acceptor Count 6
Cross-matching ID
PubChem CID
5375667
CAS Number
575-03-1
Formula
C10H5F3O3
Canonical SMILES
C1=CC2=C(C=C1O)OC(=O)C=C2C(F)(F)F
InChI
1S/C10H5F3O3/c11-10(12,13)7-4-9(15)16-8-3-5(14)1-2-6(7)8/h1-4,14H
InChIKey
CCKWMCUOHJAVOL-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
ACMC-1AKLT metabolite A2 DM001694 N. A. Conjugation - Glucuronidation 1 [2]
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR002919 ACMC-1AKLT ACMC-1AKLT metabolite A2 Conjugation - Glucuronidation UGT [2]
Drug-Metabolizing Enzyme(s) (DME) Metabolizing This Drug
DME Name DME Info Species Uniprot ID EC Number REF
UDP-glucuronyltransferase (UGT) DMEN064 . Not Available Not Available [2]
Experimental Enzyme Kinetic Data of This Drug
DME Name DME Info Kinetic Data Uniprot ID REF
UDP-glucuronosyltransferase 1A1 (UGT1A1) DME0004 Km = 0.198 microM
UD11_HUMAN
[3]
References
1 A high throughput assay for the glucuronidation of 7-hydroxy-4-trifluoromethylcoumarin by recombinant human UDP-glucuronosyltransferases and liver microsomes. Xenobiotica. 2013 Oct;43(10):853-61.
2 Identification of UGT2B9*2 and UGT2B33 isolated from female rhesus monkey liver Arch Biochem Biophys. 2004 Jun 1;426(1):55-62. doi: 10.1016/j.abb.2004.03.035.
3 Functional characterization of human and cynomolgus monkey UDP-glucuronosyltransferase 1A1 enzymes. Life Sci. 2010 Aug 14;87(7-8):261-8.

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