Cdk4 inhibitor II

Ligand id: 5951

Name: Cdk4 inhibitor II

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 1
Hydrogen bond donors 1
Rotatable bonds 2
Topological polar surface area 62.58
Molecular weight 271.07
XLogP 2.88
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
1,4-dimethoxy-9,10-dihydroacridine-9-thione
Synonyms
NSC 625987
Database Links
CAS Registry No. 141992-47-4
ChEMBL Ligand CHEMBL1331734
PubChem CID 3004085
Search Google for chemical match using the InChIKey KFAKESMKRPNZTM-UHFFFAOYSA-N
Search Google for chemicals with the same backbone KFAKESMKRPNZTM
Search UniChem for chemical match using the InChIKey KFAKESMKRPNZTM-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone KFAKESMKRPNZTM
Comments
NSC 625987 is a cyclin-dependent kinase 4 (CDK4) inhibitor, with >500-fold selectivity compared to CDK2 (IC50 >100 μM for cdc2/cyclin A, CDK2/cyclin A and CDK2/cyclin E) [3].