mirtazapine

Ligand id: 7241

Name: mirtazapine

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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 0
Topological polar surface area 19.37
Molecular weight 265.16
XLogP 3.61
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!)

Bioactivity Comments
Mirtazapine has affinity for several GPCRs, but has highest measurable affinity for the α2-adrenoceptors (IC50 order of potency: 2A>2C>2B [2]) and the serotonin 5-HT2A and 5-HT2C receptors (Ki order of potency 2C>2A>7>1A [1,3]).
Selectivity at human GPCRs
Key to terms and symbols Click column headers to sort
Target Type Action Affinity Units Concentration range (M) Reference
α2C-adrenoceptor Antagonist Antagonist 7.7 pKi - 1
pKi 7.7 (Ki 1.8x10-8 M) [1]
Description: Inhibition of [3H]rauwolscine binding.
α2A-adrenoceptor Antagonist Antagonist 7.7 pKi - 1
pKi 7.7 (Ki 2x10-8 M) [1]
Description: Inhibition of [3H]rauwolscine binding.
5-HT2C receptor Antagonist Antagonist 7.4 pKi - 1
pKi 7.4 (Ki 3.9x10-8 M) [1]
5-HT2A receptor Antagonist Antagonist 7.2 pKi - 1
pKi 7.2 (Ki 6.9x10-8 M) [1]
α2A-adrenoceptor Antagonist Antagonist 7.1 pIC50 - 2
pIC50 7.1 (IC50 8.511x10-8 M) [2]
α2B-adrenoceptor Antagonist Antagonist 6.7 pIC50 - 2
pIC50 6.7 (IC50 2.239x10-7 M) [2]
α2C-adrenoceptor Antagonist Antagonist 6.7 pIC50 - 2
pIC50 6.7 (IC50 1.995x10-7 M) [2]
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