kenpaullone   Click here for help

GtoPdb Ligand ID: 6000

Synonyms: 9-bromopaullone
Compound class: Synthetic organic
Comment: Kenpaullone is an ATP-competitive inhibitor of several cyclin-dependent kinases (CDKs) and glycogen synthase kinase 3β (GSK-3β) [3-4].
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 2
Hydrogen bond donors 2
Rotatable bonds 0
Topological polar surface area 44.89
Molecular weight 326.01
XLogP 3.76
No. Lipinski's rules broken 0
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Canonical SMILES O=C1Nc2ccccc2c2c(C1)c1cc(Br)ccc1[nH]2
Isomeric SMILES O=C1Nc2ccccc2c2c(C1)c1cc(Br)ccc1[nH]2
InChI InChI=1S/C16H11BrN2O/c17-9-5-6-14-11(7-9)12-8-15(20)18-13-4-2-1-3-10(13)16(12)19-14/h1-7,19H,8H2,(H,18,20)
Selectivity at enzymes
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Target Sp. Type Action Value Parameter Concentration range (M) Reference
glycogen synthase kinase 3 beta Primary target of this compound Hs Inhibitor Inhibition 7.6 pIC50 - 3
pIC50 7.6 (IC50 2.3x10-8 M) [3]
cyclin dependent kinase 1 Primary target of this compound Mgl Inhibitor Inhibition 6.4 pIC50 - 4
pIC50 6.4 (IC50 4x10-7 M) [4]
Description: CDK1/cyclin B complex
cyclin dependent kinase 2 Primary target of this compound Mgl Inhibitor Inhibition 6.2 pIC50 - 4
pIC50 6.2 (IC50 6.8x10-7 M) [4]
Description: CDK2/cyclin A complex
cyclin dependent kinase 5 Primary target of this compound Bt Inhibitor Inhibition 6.1 pIC50 - 4
pIC50 6.1 (IC50 8.5x10-7 M) [4]
Description: CDK5/p25 complex