EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:90624 - SGX-523

Default Structure
ChEBI IDCHEBI:90624
ChEBI NameSGX-523
Stars
DefinitionA member of the class of triazolopyridazines that is 6-(1-methylpyrazol-4-yl)[1,2,4]triazolo[4,3-b]pyridazine-3-thiol in which the thiol hydrogen is replaced by a quinolin-6-yl group.
Last Modified24 February 2016
Submittermziehm
DownloadsMolfile
FormulaC18H13N7S
Net Charge0
Average Mass359.418
Monoisotopic Mass359.09531
SMILESCn1cc(-c2ccc3nnc(Sc4ccc5ncccc5c4)n3n2)cn1
InChIInChI=1S/C18H13N7S/c1-24-11-13(10-20-24)16-6-7-17-21-22-18(25(17)23-16)26-14-4-5-15-12(9-14)3-2-8-19-15/h2-11H,1H3
InChIKeyBCZUAADEACICHN-UHFFFAOYSA-N
Roles Classification
Biological Roles:
c-Met tyrosine kinase inhibitor  An EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor that interferes with the action of c-Met tyrosine kinase.
nephrotoxic agent  A role played by any chemical compound (natural or synthetic) exhibiting itself through the ability to induce damage to the kidneys.
ChEBI Ontology
Outgoing Relation(s)
SGX-523 (CHEBI:90624) has role c-Met tyrosine kinase inhibitor (CHEBI:90199)
SGX-523 (CHEBI:90624) has role nephrotoxic agent (CHEBI:50909)
SGX-523 (CHEBI:90624) is a aryl sulfide (CHEBI:35683)
SGX-523 (CHEBI:90624) is a biaryl (CHEBI:64459)
SGX-523 (CHEBI:90624) is a pyrazoles (CHEBI:26410)
SGX-523 (CHEBI:90624) is a quinolines (CHEBI:26513)
SGX-523 (CHEBI:90624) is a triazolopyridazine (CHEBI:48384)
IUPAC Name 
6-{[6-(1-methyl-1H-pyrazol-4-yl)[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulfanyl}quinoline
Synonyms  Source
SGX-523ChemIDplus
SGX523ChemIDplus
Manual XrefsDatabases
DB08584DrugBank
LSM-1123LINCS
SX8PDBeChem
Registry NumbersSources
Reaxys:18321133Reaxys
CAS:1022150-57-7ChemIDplus
Citations