Cdk2 inhibitor IV

Ligand id: 5949

Name: Cdk2 inhibitor IV

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 7
Hydrogen bond donors 2
Rotatable bonds 9
Topological polar surface area 96.03
Molecular weight 422.24
XLogP 4.57
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
4-{[6-(cyclohexylmethoxy)-7H-purin-2-yl]amino}-N,N-diethylbenzamide
Synonyms
NU6140
Database Links
CAS Registry No. 444723-13-1
ChEMBL Ligand CHEMBL1802728
PubChem CID 10202471
Search Google for chemical match using the InChIKey XHEQSRJCJTWWAH-UHFFFAOYSA-N
Search Google for chemicals with the same backbone XHEQSRJCJTWWAH
Search UniChem for chemical match using the InChIKey XHEQSRJCJTWWAH-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone XHEQSRJCJTWWAH
Comments
This compound is a highly cell-permeable purine compound that acts as an ATP-competitive inhibitor of cyclin dependent kinases (CDKs). In vitro assays show that it is 36-fold selective for CDK2 compared to other CDKs tested [4].