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 GtoPdb and ChEMBL (where available) across species

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 GPCRs
Key to terms and symbols Click column headers to sort
Target Sp. Type Action Affinity Units Concentration range (M) Reference
α1A-adrenoceptor Rn 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 Rn Antagonist Antagonist 6.4 pA2 - 8
pA2 6.4 [8]
Description: Measured as antagonism of phenylephrine-induced contraction of endothelium-denuded rat aorta.
H1 receptor Hs Antagonist Antagonist 8.7 – 9.2 pKi - 6,11
pKi 8.7 – 9.2 [6,11]
5-HT2A receptor Hs Antagonist Antagonist 8.6 – 8.9 pKi - 4,6,11-12
pKi 8.6 – 8.9 [4,6,11-12]
D2 receptor Hs Antagonist Antagonist 8.7 pKi - 1
pKi 8.7 (Ki 2.1x10-9 M) [1]
5-HT2C receptor Hs Antagonist Inverse agonist 8.1 – 8.4 pKi - 2,6,12
pKi 8.1 – 8.4 [2,6,12]
5-HT6 receptor Rn Antagonist Inverse agonist 7.6 – 8.6 pKi - 5,10
pKi 7.6 – 8.6 [5,10]
5-HT6 receptor Hs Antagonist Inverse agonist 8.0 pKi - 3,9
pKi 8.0 [3,9]
5-HT7 receptor Rn Antagonist Antagonist 6.8 – 7.0 pKi - 5,10
pKi 6.8 – 7.0 [5,10]
5-HT1F receptor Hs Agonist Full agonist 6.5 pKi - 11
pKi 6.5 [11]
5-HT7 receptor Hs Antagonist Antagonist 6.5 pKi - 13
pKi 6.5 [13]
5-HT1B receptor Hs Agonist Full agonist 6.3 pKi - 11
pKi 6.3 [11]
5-HT1D receptor Hs Agonist Full agonist 6.2 pKi - 11
pKi 6.2 [11]
5-HT1A receptor Hs Agonist Full agonist 5.6 – 5.8 pKi - 7,11
pKi 5.6 – 5.8 [7,11]
5-ht1e receptor Hs Agonist Full agonist 5.7 pKi - 11
pKi 5.7 [11]