Cdk1/5 inhibitor   Click here for help

GtoPdb Ligand ID: 5947

Synonyms: quinoxaline1
Compound class: Synthetic organic
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 4
Hydrogen bond donors 2
Rotatable bonds 0
Topological polar surface area 80.48
Molecular weight 185.07
XLogP 1.25
No. Lipinski's rules broken 0
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Canonical SMILES Nc1[nH]nc2c1nc1ccccc1n2
Isomeric SMILES Nc1[nH]nc2c1nc1ccccc1n2
InChI InChI=1S/C9H7N5/c10-8-7-9(14-13-8)12-6-4-2-1-3-5(6)11-7/h1-4H,(H3,10,12,13,14)
Selectivity at enzymes
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Target Sp. Type Action Value Parameter Concentration range (M) Reference
cyclin dependent kinase 5 Primary target of this compound Hs Inhibitor Inhibition 6.4 pIC50 - 2
pIC50 6.4 (IC50 4x10-7 M) [2]
Description: CDK5(p25)
cyclin dependent kinase 1 Primary target of this compound Hs Inhibitor Inhibition 6.2 pIC50 - 2
pIC50 6.2 (IC50 6x10-7 M) [2]
Description: CDK1/cyclin B complex
glycogen synthase kinase 3 beta Hs Inhibitor Inhibition 6.0 pIC50 - 2
pIC50 6.0 (IC50 1x10-6 M) [2]