olanzapine

Ligand id: 47

Name: olanzapine

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Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 4
Hydrogen bond donors 1
Rotatable bonds 1
Topological polar surface area 59.11
Molecular weight 312.14
XLogP 3.51
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
In vivo and in vitro studies in rats have indicated that antagonism of α1A-AR by olanzapine is responsible for the side effect of orthostatic hypotension associated with this drug [8].
Selectivity at human GPCRs
Key to terms and symbols Click column headers to sort
Target Type Action Affinity Units Concentration range (M) Reference
H1 receptor Antagonist Antagonist 8.7 – 9.2 pKi - 6,11
pKi 8.7 – 9.2 [6,11]
5-HT2A receptor Antagonist Antagonist 8.6 – 8.9 pKi - 4,6,11-12
pKi 8.6 – 8.9 [4,6,11-12]
D2 receptor Antagonist Antagonist 8.7 pKi - 1
pKi 8.7 (Ki 2.1x10-9 M) [1]
5-HT2C receptor Antagonist Inverse agonist 8.1 – 8.4 pKi - 2,6,12
pKi 8.1 – 8.4 [2,6,12]
5-HT6 receptor Antagonist Inverse agonist 8.0 pKi - 3,9
pKi 8.0 [3,9]
5-HT1F receptor Agonist Full agonist 6.5 pKi - 11
pKi 6.5 [11]
5-HT7 receptor Antagonist Antagonist 6.5 pKi - 13
pKi 6.5 [13]
5-HT1B receptor Agonist Full agonist 6.3 pKi - 11
pKi 6.3 [11]
5-HT1D receptor Agonist Full agonist 6.2 pKi - 11
pKi 6.2 [11]
5-HT1A receptor Agonist Full agonist 5.6 – 5.8 pKi - 7,11
pKi 5.6 – 5.8 [7,11]
5-ht1e receptor Agonist Full agonist 5.7 pKi - 11
pKi 5.7 [11]
Selectivity at rat GPCRs
Key to terms and symbols Click column headers to sort
Target Type Action Affinity Units Concentration range (M) Reference
α1A-adrenoceptor Antagonist Antagonist 7.4 pA2 - 8
pA2 7.4 [8]
Description: Measured as antagonism of phenylephrine-induced contraction of endothelium-denuded rat small mesenteric artery.
α1D-adrenoceptor Antagonist Antagonist 6.4 pA2 - 8
pA2 6.4 [8]
Description: Measured as antagonism of phenylephrine-induced contraction of endothelium-denuded rat aorta.
5-HT6 receptor Antagonist Inverse agonist 7.6 – 8.6 pKi - 5,10
pKi 7.6 – 8.6 [5,10]
5-HT7 receptor Antagonist Antagonist 6.8 – 7.0 pKi - 5,10
pKi 6.8 – 7.0 [5,10]