SGX-523

Ligand id: 5709

Name: SGX-523

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 7
Hydrogen bond donors 0
Rotatable bonds 3
Topological polar surface area 99.09
Molecular weight 359.1
XLogP 3.11
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[5,4-f]pyridazin-3-yl]sulfanyl]quinoline
Synonyms
SGX523
Database Links
CAS Registry No. 1022150-57-7 (source: PubChem)
ChEMBL Ligand CHEMBL1236107
PubChem CID 24779724
RCSB PDB Ligand SX8
Search Google for chemical match using the InChIKey BCZUAADEACICHN-UHFFFAOYSA-N
Search Google for chemicals with the same backbone BCZUAADEACICHN
Search UniChem for chemical match using the InChIKey BCZUAADEACICHN-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone BCZUAADEACICHN
SynPHARM 81064 (in complex with MET proto-oncogene, receptor tyrosine kinase)
81205 (in complex with MET proto-oncogene, receptor tyrosine kinase)
Comments
SGX-523 is an ATP-competitive, highly selective inhibitor of the receptor tyrosine kinase, hepatocyte growth factor receptor (MET) [1] [2]. While Buchanan et al. [1] include three PDB structures linked via PubMed to MMDB entries, two of them depict a charge-state tautomer of SGX-523. These thus point to a different compound PubChem CID 42628064 but the PDB link above points to the correct ligand structure. Note also, becasue of its established specificity, this now has a SGC Probe Portal entry SGX-523.