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 GtoPdb and ChEMBL (where available) across species

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 ion channels
Key to terms and symbols Click column headers to sort
Target Sp. Type Action Affinity Units Concentration range (M) Reference
GABAA receptor α5 subunit Hs 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 Hs 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 Hs 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 Hs 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 α4 subunit Rn 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.
GABAA receptor α6 subunit Hs 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.