bantag-1

Ligand id: 6176

Name: bantag-1

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 13
Hydrogen bond donors 8
Rotatable bonds 29
Topological polar surface area 199.26
Molecular weight 894.63
XLogP 4.71
No. Lipinski's rules broken 3

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
BB3 receptor Antagonist Antagonist 8.6 – 8.7 pIC50 - 1-2
pIC50 8.6 – 8.7 (IC50 2.5x10-9 – 2x10-9 M) [1-2]
BB1 receptor Antagonist Antagonist 5.0 – 5.5 pIC50 - 1-2
pIC50 5.0 – 5.5 (IC50 1x10-5 – 3.3x10-6 M) [1-2]
BB2 receptor Antagonist Antagonist 5.0 – 5.4 pIC50 - 1-2
pIC50 5.0 – 5.4 (IC50 1x10-5 – 4.4x10-6 M) [1-2]
Selectivity at mouse GPCRs
Key to terms and symbols Click column headers to sort
Target Type Action Affinity Units Concentration range (M) Reference
BB3 receptor Antagonist Antagonist 8.1 pIC50 - 1
pIC50 8.1 (IC50 8.1x10-9 M) [1]
Selectivity at rat GPCRs
Key to terms and symbols Click column headers to sort
Target Type Action Affinity Units Concentration range (M) Reference
BB3 receptor Antagonist Antagonist 8.8 pIC50 - 1
pIC50 8.8 (IC50 1.7x10-9 M) [1]