diazepam

Ligand id: 3364

Name: diazepam

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Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 0
Rotatable bonds 1
Topological polar surface area 32.67
Molecular weight 284.07
XLogP 3.85
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!)

Enzymes Catalysing Reactions with this Compound as a Substrate or Product
Enzyme EC number Reaction Reference
CYP3A4 2
Selectivity at human GPCRs
Key to terms and symbols Click column headers to sort
Target Type Action Affinity Units Concentration range (M) Reference
α1A-adrenoceptor Allosteric modulator Positive 4.1 pKi - 5
pKi 4.1 (Ki 8.57x10-5 M) [5]
Selectivity at human ion channels
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Target Type Action Affinity Units Concentration range (M) Reference
GABAA receptor α1 subunit Allosteric modulator Positive 7.8 pKi - 4
pKi 7.8 (Ki 1.63x10-8 M) [Binds to: benzodiazepine site] [4]
Description: Assay using recombinant GABAA channels with subunit composition; α1β1γ2.
GABAA receptor α2 subunit Allosteric modulator Positive 7.8 pKi - 4
pKi 7.8 (Ki 1.69x10-8 M) [Binds to: benzodiazepine site] [4]
Description: Assay using recombinant GABAA channels with subunit composition; α2β1γ2.
GABAA receptor α3 subunit Allosteric modulator Positive 7.8 pKi - 4
pKi 7.8 (Ki 1.7x10-8 M) [Binds to: benzodiazepine site] [4]
Description: Assay using recombinant GABAA channels with subunit composition; α3β1γ2.
Selectivity at rat GPCRs
Key to terms and symbols Click column headers to sort
Target Type Action Affinity Units Concentration range (M) Reference
TRH1 receptor Antagonist Antagonist 5.2 pKi - 1
pKi 5.2 (Ki 7.1x10-6 M) [1]
Targets where the ligand is described in the comment field
Target Comment