Cdk4 inhibitor III   Click here for help

GtoPdb Ligand ID: 5952

Synonyms: ryuvidine
Compound class: Synthetic organic
Comment: CDK4 inhibitor III (ryuvidine), as its name suggests was originally reported as a selective inhibitor of CDK4, albeit a weak inhibitor [6]. However, to date (October 2018) there is no published data showing cellular inhibition of CDK4 by this compound, but some evidence of action at another target(s) that regulates the S phase of the cell cycle has been reported [5]. This latter effect may be due to CDK4 inhibitor III-induced inhibition of the lysine methyltransferase SETD8 [2,4].
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 4
Hydrogen bond donors 1
Rotatable bonds 2
Topological polar surface area 87.3
Molecular weight 284.06
XLogP 2.2
No. Lipinski's rules broken 0
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Canonical SMILES Cc1ccc(cc1)NC1=CC(=O)c2c(C1=O)nc(s2)C
Isomeric SMILES Cc1ccc(cc1)NC1=CC(=O)c2c(C1=O)nc(s2)C
InChI InChI=1S/C15H12N2O2S/c1-8-3-5-10(6-4-8)17-11-7-12(18)15-13(14(11)19)16-9(2)20-15/h3-7,17H,1-2H3
Selectivity at enzymes
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Target Sp. Type Action Value Parameter Concentration range (M) Reference
cyclin dependent kinase 4 Hs Inhibitor Inhibition 8.2 pIC50 - 6
pIC50 8.2 (IC50 6x10-9 M) [6]
Description: CDK4/cyclin D1 complex
cyclin dependent kinase 2 Hs Inhibitor Inhibition <6.7 pIC50 - 6
pIC50 <6.7 (IC50 >2x10-7 M) [6]
Description: CDK2/cyclin A complex
lysine methyltransferase 5A Hs Inhibitor Inhibition 6.3 pIC50 - 2
pIC50 6.3 (IC50 5x10-7 M) [2]