A-123189

Ligand id: 491

Name: A-123189

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 1
Rotatable bonds 6
Topological polar surface area 93.36
Molecular weight 476.19
XLogP 5.06
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

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

Selectivity at human GPCRs
Key to terms and symbols Click column headers to sort
Target Type Action Affinity Units Concentration range (M) Reference
α1D-adrenoceptor Antagonist Antagonist 9.5 pKi - 1
pKi 9.5 [1]
α1A-adrenoceptor Antagonist Antagonist 8.4 pKi - 1
pKi 8.4 [1]
α1B-adrenoceptor Antagonist Antagonist 8.0 pKi - 1
pKi 8.0 [1]
Selectivity at rat GPCRs
Key to terms and symbols Click column headers to sort
Target Type Action Affinity Units Concentration range (M) Reference
α1D-adrenoceptor Antagonist Antagonist 9.8 pKi - 1
pKi 9.8 [1]
α1A-adrenoceptor Antagonist Antagonist 8.5 pKi - 1
pKi 8.5 [1]