SGX-523

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Synonyms
Status
Molecule Category Free-form
UNII WH8SQN09KJ
EPA CompTox DTXSID70647300

Structure

InChI Key BCZUAADEACICHN-UHFFFAOYSA-N
Smiles Cn1cc(-c2ccc3nnc(Sc4ccc5ncccc5c4)n3n2)cn1
InChI
InChI=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

Physicochemical Descriptors

Property Name Value
Molecular Formula C18H13N7S
Molecular Weight 359.42
AlogP 3.22
Hydrogen Bond Acceptor 8.0
Number of Rotational Bond 3.0
Polar Surface Area 73.79
Molecular species NEUTRAL
Aromatic Rings 5.0
Heavy Atoms 26.0

Pharmacology

Mechanism of Action Action Reference
Hepatocyte growth factor receptor inhibitor INHIBITOR PubMed PubMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Kinase Protein Kinase CMGC protein kinase group CMGC protein kinase DYRK family CMGC protein kinase Dyrk1 subfamily
- - 780 - -
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase Met family
- 3.1-4 0.19-3.9 - -
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Homo sapiens
- 3.1-25 - - -

Target Conservation

Protein: Hepatocyte growth factor receptor
Description: Hepatocyte growth factor receptor
Organism : Homo sapiens
P08581 ENSG00000105976

Cross References

Resources Reference
CAS NUMBER 1022150-57-7
ChEBI 90624
ChEMBL CHEMBL1236107
DrugBank DB06314
FDA SRS WH8SQN09KJ
Guide to Pharmacology 5709
PDB SX8
PubChem 24779724
SureChEMBL SCHEMBL4496422
ZINC ZINC000039129916
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