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

General Information of Drug (ID: DR1619)
Drug Name
FYX-051
Synonyms
FYX 051; FYX-051; Topiroxostat; Topiroxostat [INN]; Uriadec (TN); 0J877412JV; 2-Pyridinecarbonitrile, 4-[5-(4-pyridinyl)-1H-1,2,4-triazol-3-yl]-; 4-(5-(Pyridin-4-yl)-1h-1,2,4-triazol-3-yl)pyridine-2-carbonitrile; 4-(5-PYRIDIN-4-YL-1H-1,2,4-TRIAZOL-3-YL)PYRIDINE-2-CARBONITRILE; 4-[5-(pyridin-4-yl)-1H-1,2,4-triazol-3-yl]pyridine-2-carbonitrile; 4-[5-PYRIDIN-4-YL-1H-[1,2,4]TRIAZOL-3-YL]-PYRIDINE-2-CARBONITRILE; 5-(2-cyano-4-pyridyl)-3-(4-pyridyl)-1,2,4-triazole; 577778-58-6; AK310366; CHEMBL1078685; UNII-0J877412JV
Indication Diabetic nephropathy [ICD11: GB61] Phase 2 [1]
Structure
3D MOL 2D MOL
Pharmaceutical Properties Molecular Weight 248.24 Topological Polar Surface Area 91.1
Heavy Atom Count 19 Rotatable Bond Count 2
Hydrogen Bond Donor Count 1 Hydrogen Bond Acceptor Count 5
Cross-matching ID
PubChem CID
5288320
CAS Number
577778-58-6
TTD Drug ID
D0WK0P
Formula
C13H8N6
Canonical SMILES
C1=CN=CC=C1C2=NC(=NN2)C3=CC(=NC=C3)C#N
InChI
1S/C13H8N6/c14-8-11-7-10(3-6-16-11)13-17-12(18-19-13)9-1-4-15-5-2-9/h1-7H,(H,17,18,19)
InChIKey
UBVZQGOVTLIHLH-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
Topiroxostat N-oxide DM006863 N. A. Oxidation - N-oxidation 1 [3]
Unclear DM009999 N. A. Conjugation - N2-Glucuronidation 1 [4]
Unclear DM009999 N. A. Conjugation - N1-Glucuronidation 1 [4]
Unclear DM009999 N. A. Oxidation - 2-hydroxylation 1 [5]
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR007455 FYX-051 Unclear Oxidation - 2-hydroxylation AOX1 [5]
MR007456 FYX-051 Topiroxostat N-oxide Oxidation - N-oxidation Unclear [3]
Drug-Metabolizing Enzyme(s) (DME) Metabolizing This Drug
DME Name DME Info Species Uniprot ID EC Number REF
UDP-glucuronosyltransferase 1A9 (UGT1A9) DME0042 Homo sapiens
UD19_HUMAN
2.4.1.17
[2]
References
1 ClinicalTrials.gov (NCT02327754) Effect of Topiroxostat on Urinary Albumin Excretion Early Stage Diabetic Nephropathy and Hyperuricemia With or Without Gout.
2 Characterization of N-glucuronidation of 4-(5-pyridin-4-yl-1H-[1,2,4]triazol-3-yl) pyridine-2-carbonitrile (FYX-051): a new xanthine oxidoreductase inhibitor. Drug Metab Dispos. 2007 Dec;35(12):2143-8.
3 Metabolic profile of FYX-051 (4-(5-pyridin-4-yl-1h-[1,2,4]triazol-3-yl)pyridine-2-carbonitrile) in the rat, dog, monkey, and human: identification of N-glucuronides and N-glucosides
4 DrugBank(Pharmacology-Metabolism):FYX-051
5 FYX-051: a novel and potent hybrid-type inhibitor of xanthine oxidoreductase

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