Ligand id: 5932

Name: JNJ-7706621

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 9
Hydrogen bond donors 3
Rotatable bonds 5
Topological polar surface area 154.37
Molecular weight 394.07
XLogP 1.92
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

View interactive charts of activity data from GtoPdb and ChEMBL (where available) across species

Bioactivity Comments
Note that some bioactivity data for this compound may be associated with the acetonitrile compound (PubChem CID 16760303).
Selectivity at enzymes
Key to terms and symbols Click column headers to sort
Target Sp. Type Action Affinity Units Concentration range (M) Reference
cyclin dependent kinase 2 Hs Inhibitor Inhibition 8.7 pIC50 - 4
pIC50 8.7 (IC50 2x10-9 M) [4]
Description: CDK2 in association with cyclin A
cyclin dependent kinase 1 Hs Inhibitor Inhibition 8.2 pIC50 - 4
pIC50 8.2 (IC50 6.4x10-9 M) [4]
Description: CDK1 in association with cyclin B
Janus kinase 2 Hs Inhibitor Binding 7.0 pIC50 - 5
pIC50 7.0 (IC50 1.06x10-7 M) [5]
Description: Binding to the JH2 pseudo kinase domain of JAK2 was determined using isothermal titration calorimetry (ITC).