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

General Information of Drug (ID: DR1802)
Drug Name
SGX-523
Synonyms
SGX-523; SGX523; SGX 523; 6-(6-(1-methyl-1H-pyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-ylthio)quinoline; UNII-WH8SQN09KJ; WH8SQN09KJ; CHEMBL1236107; CHEBI:90624; 6-{[6-(1-methyl-1H-pyrazol-4-yl)[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulfanyl}quinoline; 6-[[6-(1-Methyl-1H-pyrazol-4-yl)-1,2,4-triazolo[4,3-b]pyridazin-3-yl]thio]quinoline; C18H13N7S; BDBM50355498;1022150-57-7; Quinoline, 6-[[6-(1-methyl-1H-pyrazol-4-yl)-1,2,4-triazolo[4,3-b]pyridazin-3-yl]thio]-;Quinoline, 6-[[6-(1-methyl-1H-pyrazol-4-yl)-1,2,4-triazolo[4,3-b]pyridazin-3-yl]thio]-; 3dkf; 3dkg; PubChem19151; MLS006010279
Indication Brain cancer [ICD11: 2A00] Phase 1 [1]
Structure
3D MOL 2D MOL
Pharmaceutical Properties Molecular Weight 359.4 Topological Polar Surface Area 99.1
Heavy Atom Count 26 Rotatable Bond Count 3
Hydrogen Bond Donor Count 0 Hydrogen Bond Acceptor Count 6
Cross-matching ID
PubChem CID
73755144
PubChem SID
200000000
TTD Drug ID
D0ZU5F
Formula
C18H13N7S
Canonical SMILES
CN1C=C(C=N1)C2=NN3C(=NN=C3SC4=CC=CC5=C4C=CC=N5)C=C2
InChI
1S/C18H13N7S/c1-24-11-12(10-20-24)14-7-8-17-21-22-18(25(17)23-14)26-16-6-2-5-15-13(16)4-3-9-19-15/h2-11H,1H3
InChIKey
DLQHWTQHNQBZRQ-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
2-quinolinone-SGX523 DM003538 N. A. Unclear 1 [2]
N-desmethyl 2-quinolinone-SGX523 DM003539 N. A. Oxidation - N-demethylation 2 [2]
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR003976 SGX-523 2-quinolinone-SGX523 Unclear AOX1 [2]
MR003977 2-quinolinone-SGX523 N-desmethyl 2-quinolinone-SGX523 Oxidation - N-demethylation Unclear [2]
Drug-Metabolizing Enzyme(s) (DME) Metabolizing This Drug
DME Name DME Info Species Uniprot ID EC Number REF
Aldehyde oxidase (AOX1) DME0052 Homo sapiens
AOXA_HUMAN
1.2.3.1
[2]
References
1 ClinicalTrials.gov (NCT00607399) Safety Study of SGX523, a Small Molecule Met Inhibitor, to Treat Solid Tumors.
2 Species-specific metabolism of SGX523 by aldehyde oxidase and the toxicological implications. Drug Metab Dispos. 2010 Aug;38(8):1277-85.

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