clonazepam   Click here for help

GtoPdb Ligand ID: 6963

Synonyms: Klonopin® | Ro-5-4023 | Ro-54023
Approved drug
clonazepam is an approved drug (FDA (1975))
Compound class: Synthetic organic
Comment: Clonazepam belongs to the benzodiazepine group of drugs.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 3
Hydrogen bond donors 1
Rotatable bonds 2
Topological polar surface area 84.6
Molecular weight 315.04
XLogP 2.67
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES O=C1CN=C(c2c(N1)ccc(c2)[N+](=O)[O-])c1ccccc1Cl
Isomeric SMILES O=C1CN=C(c2c(N1)ccc(c2)[N+](=O)[O-])c1ccccc1Cl
InChI InChI=1S/C15H10ClN3O3/c16-12-4-2-1-3-10(12)15-11-7-9(19(21)22)5-6-13(11)18-14(20)8-17-15/h1-7H,8H2,(H,18,20)
InChI Key DGBIGWXXNGSACT-UHFFFAOYSA-N
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
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Target Sp. Type Action Value Parameter Concentration range (M) Reference
GABAA receptor α1 subunit Primary target of this compound 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 Primary target of this compound 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 Primary target of this compound 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.