Ligand id: 87

Name: iloperidone

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 2
Hydrogen bond donors 0
Rotatable bonds 8
Topological polar surface area 64.8
Molecular weight 426.2
XLogP 4.17
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
Measuring displacement of [3H]spiperone from rat cortex provides an IC50 value for iloperidone of 9nM [4]. The ratio of IC50 values of dopamine D2 binding over 5-HT2 binding is 12.2. When >1, this ratio indicates the potential efficacy of a drug as an atypical antipsychotic [3].
We have been unable to find open-access data for iloperidone at the human dopamine D2 and serotonin 5-HT2 receptors to substantiate the drug's MMOA.
Selectivity at GPCRs
Key to terms and symbols Click column headers to sort
Target Sp. Type Action Affinity Units Concentration range (M) Reference
5-HT7 receptor Rn Antagonist Antagonist 7.7 pKi - 2
pKi 7.7 [2]
5-HT6 receptor Rn Antagonist Antagonist 7.4 pKi - 2
pKi 7.4 [2]
5-HT6 receptor Hs Antagonist Antagonist 7.2 pKi - 1
pKi 7.2 [1]
5-HT1A receptor Hs Antagonist Antagonist 7.0 pKi - 1
pKi 7.0 [1]
5-HT7 receptor Hs Antagonist Antagonist 7.0 pKi - 1
pKi 7.0 [1]
5-HT1A receptor Rn Antagonist Antagonist 6.8 pKi - 2
pKi 6.8 [2]
D2 receptor Rn Antagonist Antagonist 7.0 pIC50 - 4
pIC50 7.0 (IC50 1.1x10-7 M) [4]
Description: Measuring displacement of [3H]spiperone from rat striatum.