aripiprazole

Ligand id: 34

Name: aripiprazole

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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 7
Topological polar surface area 44.81
Molecular weight 447.15
XLogP 4
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!)

Selectivity at human GPCRs
Key to terms and symbols Click column headers to sort
Target Type Action Affinity Units Concentration range (M) Reference
D2 receptor Agonist Partial agonist 9.1 pKi - 6
pKi 9.1 (Ki 8x10-10 M) [6]
5-HT1A receptor Agonist Partial agonist 8.2 pKi - 5
pKi 8.2 [5]
5-HT2A receptor Agonist Full agonist 7.5 – 8.1 pKi - 2,5
pKi 7.5 – 8.1 [2,5]
5-HT2C receptor Agonist Full agonist 7.6 pKi - 2
pKi 7.6 [2]
H1 receptor Antagonist Antagonist 7.5 pKi - 2
pKi 7.5 [2]
5-HT1D receptor Agonist Full agonist 7.2 pKi - 5
pKi 7.2 [5]
5-HT1B receptor Agonist Full agonist 6.1 pKi - 5
pKi 6.1 [5]
D2 receptor Agonist Partial agonist 7.4 pEC50 - 1
pEC50 7.4 (EC50 3.8x10-8 M) [1]
Description: Measuring cAMP production via the Gi-coupled signaling pathway
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 Agonist Partial agonist 9.7 pKi - 4
pKi 9.7 [4]
5-HT7 receptor Agonist Full agonist 7.8 pKi - 3
pKi 7.8 [3]
5-HT2A receptor Agonist Full agonist 7.7 pKi - 5
pKi 7.7 [5]
D4 receptor Antagonist Antagonist 7.3 pKi - 4
pKi 7.3 [4]
5-HT6 receptor Agonist Full agonist 6.8 pKi - 3
pKi 6.8 [3]