haloperidol

Ligand id: 86

Name: haloperidol

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Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 1
Rotatable bonds 6
Topological polar surface area 40.54
Molecular weight 375.14
XLogP 4.5
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
D4 receptor Antagonist Antagonist 8.7 – 8.8 pKi - 8,18,22
pKi 8.7 – 8.8 [8,18,22]
D2 receptor Antagonist Antagonist 7.4 – 8.8 pKi - 2,10-11,19,22
pKi 7.4 – 8.8 [2,10-11,19,22]
D3 receptor Antagonist Antagonist 7.5 – 8.6 pKi - 2,18-19,22
pKi 7.5 – 8.6 [2,18-19,22]
D1 receptor Antagonist Antagonist 7.6 – 8.2 pKi - 18,21
pKi 7.6 – 8.2 [18,21]
5-HT2A receptor Antagonist Antagonist 6.7 – 7.3 pKi - 7,12,17-18,23
pKi 6.7 – 7.3 [7,12,17-18,23]
5-HT1D receptor Antagonist Antagonist 6.6 pKi - 17
pKi 6.6 [17]
5-HT7 receptor Antagonist Antagonist 6.3 – 6.6 pKi - 4
pKi 6.3 – 6.6 [4]
D5 receptor Antagonist Antagonist 6.3 pKi - 21
pKi 6.3 [21]
5-HT2B receptor Antagonist Antagonist 5.8 – 6.4 pKi - 24
pKi 5.8 – 6.4 [24]
H1 receptor Antagonist Antagonist 5.7 – 6.1 pKi - 7,17
pKi 5.7 – 6.1 [7,17]
5-HT1A receptor Antagonist Antagonist 5.7 – 5.8 pKi - 9,12-13,17
pKi 5.7 – 5.8 [9,12-13,17]
Selectivity at human ion channels
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Target Type Action Affinity Units Concentration range (M) Reference
Kv10.1 Channel blocker - 6.2 pIC50 - 3
pIC50 6.2 [3]
Selectivity at mouse 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 6.3 pKi - 14
pKi 6.3 [14]
Selectivity at mouse ion channels
Key to terms and symbols Click column headers to sort
Target Type Action Affinity Units Concentration range (M) Reference
Kir3.2 Gating inhibitor Antagonist 4.1 pEC50 - 5
pEC50 4.1 [5]
Voltage: -70.0 mV
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 8.3 pKi - 20
pKi 8.3 [20]
5-HT2A receptor Antagonist Antagonist 7.4 pKi - 1
pKi 7.4 [1]
D3 receptor Antagonist Antagonist 7.0 pKi - 20
pKi 7.0 [20]
5-HT7 receptor Antagonist Antagonist 6.3 – 6.6 pKi - 6,15-16
pKi 6.3 – 6.6 [6,15-16]
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