mirtazapine

Ligand id: 7241

Name: mirtazapine

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Structure and Physico-chemical Properties

2D Structure
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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 3.02
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

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 GPCRs
Key to terms and symbols Click column headers to sort
Target Sp. Type Action Value Parameter Concentration range (M) Reference
α2C-adrenoceptor Hs Antagonist Antagonist 7.7 pKi - 1
pKi 7.7 (Ki 1.8x10-8 M) [1]
Description: Inhibition of [3H]rauwolscine binding.
α2A-adrenoceptor Hs Antagonist Antagonist 7.7 pKi - 1
pKi 7.7 (Ki 2x10-8 M) [1]
Description: Inhibition of [3H]rauwolscine binding.
5-HT2C receptor Hs Antagonist Antagonist 7.4 pKi - 1
pKi 7.4 (Ki 3.9x10-8 M) [1]
5-HT2A receptor Hs Antagonist Antagonist 7.2 pKi - 1
pKi 7.2 (Ki 6.9x10-8 M) [1]
α2A-adrenoceptor Hs Antagonist Antagonist 7.1 pIC50 - 2
pIC50 7.1 (IC50 8.511x10-8 M) [2]
α2B-adrenoceptor Hs Antagonist Antagonist 6.7 pIC50 - 2
pIC50 6.7 (IC50 2.239x10-7 M) [2]
α2C-adrenoceptor Hs Antagonist Antagonist 6.7 pIC50 - 2
pIC50 6.7 (IC50 1.995x10-7 M) [2]
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