AT-406

Ligand id: 7729

Name: AT-406

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 9
Hydrogen bond donors 3
Rotatable bonds 12
Topological polar surface area 110.85
Molecular weight 561.33
XLogP 6.16
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!)

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
baculoviral IAP repeat containing 2 Antagonist Antagonist 8.7 pKi - 1
pKi 8.7 (Ki 1.9x10-9 M) [1]
Description: Competitive inhibition of human cIAP1 BIR3 domain expressed in Escherichia coli.
baculoviral IAP repeat containing 3 Antagonist Antagonist 8.3 pKi - 1
pKi 8.3 (Ki 5.1x10-9 M) [1]
Description: Competitive inhibition of human cIAP2 BIR3 domain expressed in Escherichia coli.
X-linked inhibitor of apoptosis Antagonist Antagonist 7.2 pKi - 1
pKi 7.2 (Ki 6.64x10-8 M) [1]
Description: Competitive inhibition of human XIAP BIR3 domain expressed in Escherichia coli.