GSK269962A   

GtoPdb Ligand ID: 8037

Synonyms: aminofurazanyl-azabenzimidazole 6n | GSK-269962A | GSK269962
Compound class: Synthetic organic
Comment: GSK269962A [1] is an inhibitor that can be used as a tool compound to study the activity of the AGC family protein kinases ROCK1 and ROCK2. GSK269962A has some off-target activity against the protein kinases MSK1 and RSK1.
2D Structure
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Physico-chemical Properties
Hydrogen bond acceptors 7
Hydrogen bond donors 2
Rotatable bonds 11
Topological polar surface area 155.68
Molecular weight 570.23
XLogP 3.7
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Canonical SMILES CCn1c(nc2c1cc(nc2)Oc1cccc(c1)NC(=O)c1ccc(cc1)OCCN1CCOCC1)c1nonc1N
Isomeric SMILES CCn1c(nc2c1cc(nc2)Oc1cccc(c1)NC(=O)c1ccc(cc1)OCCN1CCOCC1)c1nonc1N
InChI InChI=1S/C29H30N8O5/c1-2-37-24-17-25(31-18-23(24)33-28(37)26-27(30)35-42-34-26)41-22-5-3-4-20(16-22)32-29(38)19-6-8-21(9-7-19)40-15-12-36-10-13-39-14-11-36/h3-9,16-18H,2,10-15H2,1H3,(H2,30,35)(H,32,38)
InChI Key YOVNFNXUCOWYSG-UHFFFAOYSA-N
Selectivity at enzymes
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Target Sp. Type Action Value Parameter Concentration range (M) Reference
Rho associated coiled-coil containing protein kinase 1 Hs Inhibitor Inhibition 8.8 pIC50 - 1
pIC50 8.8 (IC50 1.6x10-9 M) [1]
Description: In vitro inhibitory activity against recombinant ROCK1.
Rho associated coiled-coil containing protein kinase 2 Hs Inhibitor Inhibition 8.4 pIC50 - 1
pIC50 8.4 (IC50 4x10-9 M) [1]
Description: In vitro inhibitory activity against recombinant ROCK2.