thioridazine

Ligand id: 100

Name: thioridazine

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 2
Hydrogen bond donors 0
Rotatable bonds 4
Topological polar surface area 57.08
Molecular weight 370.15
XLogP 5.63
No. Lipinski's rules broken 1

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
5-HT2A receptor Antagonist Antagonist 7.4 – 8.0 pKi - 3-4
pKi 7.4 – 8.0 [3-4]
H1 receptor Antagonist Antagonist 7.7 pKi - 4
pKi 7.7 [4]
5-HT2C receptor Antagonist Antagonist 7.2 – 7.3 pKi - 1,4
pKi 7.2 – 7.3 [1,4]
5-HT6 receptor Antagonist Inverse agonist 7.2 pKi - 6
pKi 7.2 [6]
5-HT1A receptor Antagonist Antagonist 7.1 pKi - 5
pKi 7.1 [5]
5-HT7 receptor Antagonist Inverse agonist 7.1 pKi - 6
pKi 7.1 [6]
D1 receptor Antagonist Antagonist 7.0 pKi - 8
pKi 7.0 [8]
D5 receptor Antagonist Antagonist 5.6 pKi - 8
pKi 5.6 [8]
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 4.2 pEC50 - 2
pEC50 4.2 [2]
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
5-HT6 receptor Antagonist Inverse agonist 8.2 pKi - 7
pKi 8.2 [7]
5-HT7 receptor Antagonist Inverse agonist 7.2 pKi - 7
pKi 7.2 [7]