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 GtoPdb and ChEMBL (where available) across species

Enzymes Catalysing Reactions with this Compound as a Substrate or Product
Enzyme EC number Reaction Reference
CYP3A4 2
Selectivity at GPCRs
Key to terms and symbols Click column headers to sort
Target Sp. Type Action Affinity Units Concentration range (M) Reference
TRH1 receptor Rn Antagonist Antagonist 5.2 pKi - 1
pKi 5.2 (Ki 7.1x10-6 M) [1]
α1A-adrenoceptor Hs Allosteric modulator Positive 4.1 pKi - 5
pKi 4.1 (Ki 8.57x10-5 M) [5]
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 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 Hs 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 Hs 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.
Targets where the ligand is described in the comment field
Target Comment