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].
Click here for help
2D Structure
Click here for help
Click here for structure editor
Physico-chemical Properties
Click here for help
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
Click here for help
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
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
Synonyms Click here for help
Database Links Click here for help
CAS Registry No. 265312-55-8
ChEMBL Ligand CHEMBL290904
GtoPdb PubChem SID 178102575
PubChem CID 481747
Search Google for chemical match using the InChIKey HFPLHASLIOXVGS-UHFFFAOYSA-N
Search Google for chemicals with the same backbone HFPLHASLIOXVGS
UniChem Compound Search for chemical match using the InChIKey HFPLHASLIOXVGS-UHFFFAOYSA-N
UniChem Connectivity Search for chemical match using the InChIKey HFPLHASLIOXVGS-UHFFFAOYSA-N

Product suppliers

View disclaimer

Ryuvidine (links to external site)
Cat. No. 2609