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 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
D4 receptor Hs Antagonist Antagonist 8.7 – 8.8 pKi - 8,18,22
pKi 8.7 – 8.8 [8,18,22]
D2 receptor Rn Antagonist Antagonist 8.3 pKi - 20
pKi 8.3 [20]
D2 receptor Hs Antagonist Antagonist 7.4 – 8.8 pKi - 2,10-11,19,22
pKi 7.4 – 8.8 [2,10-11,19,22]
D3 receptor Hs Antagonist Antagonist 7.5 – 8.6 pKi - 2,18-19,22
pKi 7.5 – 8.6 [2,18-19,22]
D1 receptor Hs Antagonist Antagonist 7.6 – 8.2 pKi - 18,21
pKi 7.6 – 8.2 [18,21]
5-HT2A receptor Rn Antagonist Antagonist 7.4 pKi - 1
pKi 7.4 [1]
5-HT2A receptor Hs Antagonist Antagonist 6.7 – 7.3 pKi - 7,12,17-18,23
pKi 6.7 – 7.3 [7,12,17-18,23]
D3 receptor Rn Antagonist Antagonist 7.0 pKi - 20
pKi 7.0 [20]
5-HT1D receptor Hs Antagonist Antagonist 6.6 pKi - 17
pKi 6.6 [17]
5-HT7 receptor Hs Antagonist Antagonist 6.3 – 6.6 pKi - 4
pKi 6.3 – 6.6 [4]
5-HT7 receptor Rn Antagonist Antagonist 6.3 – 6.6 pKi - 6,15-16
pKi 6.3 – 6.6 [6,15-16]
5-HT7 receptor Mm Antagonist Antagonist 6.3 pKi - 14
pKi 6.3 [14]
D5 receptor Hs Antagonist Antagonist 6.3 pKi - 21
pKi 6.3 [21]
5-HT2B receptor Hs Antagonist Antagonist 5.8 – 6.4 pKi - 24
pKi 5.8 – 6.4 [24]
H1 receptor Hs Antagonist Antagonist 5.7 – 6.1 pKi - 7,17
pKi 5.7 – 6.1 [7,17]
5-HT1A receptor Hs Antagonist Antagonist 5.7 – 5.8 pKi - 9,12-13,17
pKi 5.7 – 5.8 [9,12-13,17]
Selectivity at ion channels
Key to terms and symbols Click column headers to sort
Target Sp. Type Action Affinity Units Concentration range (M) Reference
Kir3.2 Mm Gating inhibitor Antagonist 4.1 pEC50 - 5
pEC50 4.1 [5]
Voltage: -70.0 mV
Kv10.1 Hs Channel blocker - 6.2 pIC50 - 3
pIC50 6.2 [3]
Ligand mentioned in the following text fields