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 GtoPdb and ChEMBL (where available) across species

Selectivity at GPCRs
Key to terms and symbols Click column headers to sort
Target Sp. Type Action Affinity Units Concentration range (M) Reference
D2 receptor Rn Agonist Partial agonist 9.7 pKi - 4
pKi 9.7 [4]
D2 receptor Hs Agonist Partial agonist 9.1 pKi - 6
pKi 9.1 (Ki 8x10-10 M) [6]
5-HT1A receptor Hs Agonist Partial agonist 8.2 pKi - 5
pKi 8.2 [5]
5-HT2A receptor Hs Agonist Partial agonist 7.5 – 8.1 pKi - 2,5
pKi 7.5 – 8.1 [2,5]
5-HT7 receptor Rn Agonist Partial agonist 7.8 pKi - 3
pKi 7.8 [3]
5-HT2A receptor Rn Agonist Partial agonist 7.7 pKi - 5
pKi 7.7 [5]
5-HT2C receptor Hs Agonist Partial agonist 7.6 pKi - 2
pKi 7.6 [2]
H1 receptor Hs Antagonist Antagonist 7.5 pKi - 2
pKi 7.5 [2]
D4 receptor Rn Antagonist Antagonist 7.3 pKi - 4
pKi 7.3 [4]
5-HT1D receptor Hs Agonist Full agonist 7.2 pKi - 5
pKi 7.2 [5]
5-HT6 receptor Rn Antagonist Antagonist 6.8 pKi - 3
pKi 6.8 [3]
5-HT1B receptor Hs Agonist Full agonist 6.1 pKi - 5
pKi 6.1 [5]
D2 receptor Hs 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