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 GtoPdb and ChEMBL (where available) across species

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 [4].
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
BCL2, apoptosis regulator Hs Antagonist Antagonist >11.0 pKi - 1,4
pKi >11.0 (Ki <1x10-11 M) [1,4]
Description: Note that this Ki is below the detection limit of the assay.
Bcl-2-like 1 Hs Antagonist Antagonist 7.3 pKi - 4
pKi 7.3 (Ki 4.8x10-8 M) [4]
Bcl-2-like 2 Hs Antagonist Antagonist 6.6 pKi - 4
pKi 6.6 (Ki 2.45x10-7 M) [4]
MCL1, BCL2 family apoptosis regulator Hs Antagonist Antagonist <6.3 pKi - 4
pKi <6.3 (Ki >4.44x10-7 M) [4]