Ligand id: 7004

Name: C646

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 1
Rotatable bonds 5
Topological polar surface area 126.25
Molecular weight 445.13
XLogP 6.24
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

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

Bioactivity Comments
C646 is selective for EP300, inhibiting 86% of EP300 activity, but <10% of activity of other enzymes tested; Supplementary table S2 in [1].
Selectivity at other protein targets
Key to terms and symbols Click column headers to sort
Target Sp. Type Action Affinity Units Concentration range (M) Reference
E1A binding protein p300 Hs Inhibitor Inhibition 6.4 pKi - 1
pKi 6.4 (Ki 4x10-7 M) [1]