Cdk4 inhibitor III

Ligand id: 5952

Name: Cdk4 inhibitor III

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
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

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
2-methyl-5-[(4-methylphenyl)amino]-4,7-dihydro-1,3-benzothiazole-4,7-dione
Synonyms
ryuvidine
Comments
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].
Database Links
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
Search UniChem for chemical match using the InChIKey HFPLHASLIOXVGS-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone HFPLHASLIOXVGS

Product suppliers

Tocris
Ryuvidine
Cat. No. 2609