cyanotriphenylborate

Ligand id: 2368

Name: cyanotriphenylborate

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 1
Hydrogen bond donors 0
Rotatable bonds 3
Topological polar surface area 23.79
Molecular weight 268.13
XLogP 7.54
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 ion channels
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Target Type Action Affinity Units Concentration range (M) Reference
glycine receptor α1 subunit Channel blocker - 5.9 pIC50 - 1
pIC50 5.9 (IC50 1.3x10-6 M) [1]
Glycine Receptor (All subtypes) Channel blocker - 5.9 pIC50 < 1x10-6 1
pIC50 5.9 Conc range: < 1x10-6 M [1]
glycine receptor α2 subunit Channel blocker - >4.7 pIC50 - 1
pIC50 >4.7 (IC50 <2x10-5 M) [1]
Selectivity at unknown species ion channels
Key to terms and symbols Click column headers to sort
Target Type Action Affinity Units Concentration range (M) Reference
Glycine Receptor (All subtypes) Subunit-specific Inhibition - - < 1x10-6 1
Conc range: < 1x10-6 M α1 > α2 [1]
Selectivity at rat ion channels
Key to terms and symbols Click column headers to sort
Target Type Action Affinity Units Concentration range (M) Reference
glycine receptor β subunit Channel blocker - 5.1 – 5.6 pIC50 - 1
pIC50 5.6 (IC50 2.8x10-6 M) when co-expressed with the human α1 subunit [1]
pIC50 5.1 (IC50 7.5x10-6 M) when co-expressed with the human α2 subunit [1]