lurasidone

Ligand id: 7461

Name: lurasidone

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 0
Rotatable bonds 5
Topological polar surface area 84.99
Molecular weight 492.26
XLogP 4.73
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
We have been unable to find publicly available bioactivity data for this drug at the human D2-like receptors, so therefore these have not been tagged as the drug's primary target. However, in vivo rodent studies clearly show that the effects of this drug arise via antagonism of these receptors [1]. And, in addition, an in vivo study in marmosets shows preferential binding of lurasidone to dopamine D2/D3 receptors over 5-HT2A receptors [2].
Selectivity at human GPCRs
Key to terms and symbols Click column headers to sort
Target Type Action Affinity Units Concentration range (M) Reference
5-HT7 receptor Antagonist Antagonist 9.3 pKi - 1
pKi 9.3 (Ki 4.95x10-10 M) [1]
α2C-adrenoceptor Antagonist Antagonist 8.0 pKi - 1
pKi 8.0 (Ki 1.08x10-8 M) [1]
α2A-adrenoceptor Antagonist Antagonist 7.4 pKi - 1
pKi 7.4 (Ki 4.07x10-8 M) [1]
Selectivity at rat GPCRs
Key to terms and symbols Click column headers to sort
Target Type Action Affinity Units Concentration range (M) Reference
D2 receptor Antagonist Antagonist 8.8 pKi - 1
pKi 8.8 (Ki 1.68x10-9 M) [1]
5-HT2A receptor Antagonist Antagonist 8.7 pKi - 1
pKi 8.7 (Ki 2.03x10-9 M) [1]
5-HT1A receptor Agonist Partial agonist 8.2 pKi - 1
pKi 8.2 (Ki 6.75x10-9 M) [1]