venetoclax

Ligand id: 8318

Name: venetoclax

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 10
Hydrogen bond donors 3
Rotatable bonds 14
Topological polar surface area 180.41
Molecular weight 867.32
XLogP 8.56
No. Lipinski's rules broken 2

Molecular properties generated using the CDK

View interactive charts of activity data from ChEMBL and GtoPdb across species (New!)

Bioactivity Comments
Venetoclax is reported to be >4800-fold more selective for Bcl-2 compared to other protein family members Bcl-xL and Bcl-w [2].
Selectivity at human other protein targets
Key to terms and symbols Click column headers to sort
Target Type Action Affinity Units Concentration range (M) Reference
BCL2, apoptosis regulator Antagonist Antagonist >11.0 pKi - 1-2
pKi >11.0 (Ki <1x10-11 M) [1-2]
Description: Note that this Ki is below the detection limit of the assay.
Bcl-2-like 1 Antagonist Antagonist 7.3 pKi - 2
pKi 7.3 (Ki 4.8x10-8 M) [2]
Bcl-2-like 2 Antagonist Antagonist 6.6 pKi - 2
pKi 6.6 (Ki 2.45x10-7 M) [2]
MCL1, BCL2 family apoptosis regulator Antagonist Antagonist <6.3 pKi - 2
pKi <6.3 (Ki >4.44x10-7 M) [2]