flumazenil

Ligand id: 4192

Name: flumazenil

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 0
Rotatable bonds 3
Topological polar surface area 64.43
Molecular weight 303.1
XLogP 1.82
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

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

Bioactivity Comments
Flumazenil is non-selective in action, but is most potent at GABAA receptors containing the α1, α3 and α5 subunits [1].
Selectivity at human ion channels
Key to terms and symbols Click column headers to sort
Target Type Action Affinity Units Concentration range (M) Reference
GABAA receptor α5 subunit Allosteric modulator Antagonist 9.2 pKi - 1
pKi 9.2 (Ki 6x10-10 M) [Binds to: benzodiazepine site] [1]
Description: Affinity measured using α5β3γ2 receptors.
GABAA receptor α1 subunit Allosteric modulator Antagonist 9.1 pKi - 1
pKi 9.1 (Ki 8x10-10 M) [Binds to: benzodiazepine site] [1]
Description: Affinity measured using α1β3γ2 receptors.
GABAA receptor α2 subunit Allosteric modulator Antagonist 9.1 pKi - 1
pKi 9.1 (Ki 9x10-10 M) [Binds to: benzodiazepine site] [1]
Description: Affinity measured using α2β3γ2 receptors.
GABAA receptor α3 subunit Allosteric modulator Antagonist 9.0 pKi - 1
pKi 9.0 (Ki 1.05x10-9 M) [Binds to: benzodiazepine site] [1]
Description: Affinity measured using α3β3γ2 receptors.
GABAA receptor α6 subunit Allosteric modulator Partial agonist 6.8 pKi - 1
pKi 6.8 (Ki 1.48x10-7 M) [Binds to: benzodiazepine site] low affinity [1]
Description: Affinity measured using α6β3γ2 receptors.
Selectivity at rat ion channels
Key to terms and symbols Click column headers to sort
Target Type Action Affinity Units Concentration range (M) Reference
GABAA receptor α4 subunit Allosteric modulator Positive 7.0 pKi - 2
pKi 7.0 (Ki 9.4x10-8 M) [2]
Description: Antagonism of complexes containing α4β2γ2 subunits heterologously expressed in vitro.