clonazepam

Ligand id: 6963

Name: clonazepam

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Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 1
Rotatable bonds 2
Topological polar surface area 84.6
Molecular weight 315.04
XLogP 3.17
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
Although we have tagged the α-subunit as the primary drug target, the benzodiazepine allosteric binding site is actually formed at the interface of the α and γ subunits [2].
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 α1 subunit Hs Allosteric modulator Positive 8.9 pKi - 1
pKi 8.9 (Ki 1.27x10-9 M) [1]
Description: Assay using recombinant GABAA channels with subunit composition; α1β1γ2.
GABAA receptor α2 subunit Hs Allosteric modulator Positive 8.8 pKi - 1
pKi 8.8 (Ki 1.7x10-9 M) [1]
Description: Assay using recombinant GABAA channels with subunit composition; α2β1γ2.
GABAA receptor α3 subunit Hs Allosteric modulator Positive 8.7 pKi - 1
pKi 8.7 (Ki 2x10-9 M) [1]
Description: Assay using recombinant GABAA channels with subunit composition; α3β1γ2.