AGL 2043   Click here for help

GtoPdb Ligand ID: 5918

Synonyms: AGL-2043 | AGL2043 | HMS3229A05
Compound class: Synthetic organic
Comment: This is compound 13 in [3].
AGL 2043 is a potent, reversible, ATP-competitive inhibitor of type III receptor tyrosine kinases (PDGFR, CSFR, Kit, FLT3 receptor family).
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 3
Hydrogen bond donors 0
Rotatable bonds 1
Topological polar surface area 71.84
Molecular weight 280.08
XLogP 1.89
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES Cn1c(C)nc2c1cc1ncc(nc1c2)c1cccs1
Isomeric SMILES Cn1c(C)nc2c1cc1ncc(nc1c2)c1cccs1
InChI InChI=1S/C15H12N4S/c1-9-17-12-6-11-10(7-14(12)19(9)2)16-8-13(18-11)15-4-3-5-20-15/h3-8H,1-2H3
InChI Key ZGDACLBJJXLKJY-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
1,2-dimethyl-6-(thiophen-2-yl)-1H-imidazo[4,5-g]quinoxaline
Synonyms Click here for help
AGL-2043 | AGL2043 | HMS3229A05
Database Links Click here for help
CAS Registry No. 226717-28-8
ChEMBL Ligand CHEMBL2218927
GtoPdb PubChem SID 178102541
PubChem CID 9817165
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