Ligand id: 8318

Name: venetoclax

Structure and Physico-chemical Properties

2D Structure
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Calculated Physico-chemical Properties
Hydrogen bond acceptors 9
Hydrogen bond donors 3
Rotatable bonds 14
Topological polar surface area 180.41
Molecular weight 867.32
XLogP 9.38
No. Lipinski's rules broken 2

Molecular properties generated using the CDK

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 Value Parameter 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 apoptosis regulator, BCL2 family member Hs Antagonist Antagonist <6.3 pKi - 4
pKi <6.3 (Ki >4.44x10-7 M) [4]