zotepine

Ligand id: 103

Name: zotepine

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 37.77
Molecular weight 331.08
XLogP 5.18
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!)

Bioactivity Comments
A major active metabolite of zotepine, norzotepine, acts as a norepinephrine reuptake inhibitor [5], adding to the drug's antipsychotic-like and antidepressant-like actions.
Selectivity at human GPCRs
Key to terms and symbols Click column headers to sort
Target Type Action Affinity Units Concentration range (M) Reference
5-HT1D receptor Antagonist Antagonist 9.3 pKi - 4
pKi 9.3 [4]
H1 receptor Antagonist Antagonist 9.2 pKi - 4
pKi 9.2 [4]
5-HT2A receptor Antagonist Antagonist 8.6 pKi - 4
pKi 8.6 [4]
5-HT2C receptor Antagonist Inverse agonist 8.6 pKi - 1
pKi 8.6 [1]
5-HT7 receptor Antagonist Inverse agonist 8.4 pKi - 2
pKi 8.4 [2]
5-HT6 receptor Antagonist Inverse agonist 8.3 pKi - 2
pKi 8.3 [2]
α2B-adrenoceptor Antagonist Antagonist 8.2 pKi - 4
pKi 8.2 (Ki 5.7x10-9 M) [4]
D3 receptor Antagonist Antagonist 8.2 pKi - 4
pKi 8.2 (Ki 6.4x10-9 M) [4]
D2 receptor Antagonist Antagonist 8.0 pKi - 4
pKi 8.0 (Ki 1.1x10-8 M) [4]
D4 receptor Antagonist Antagonist 7.4 pKi - 4
pKi 7.4 (Ki 3.9x10-8 M) [4]
5-HT1B receptor Antagonist Antagonist 7.2 pKi - 4
pKi 7.2 [4]
5-HT1A receptor Antagonist Antagonist 6.5 pKi - 4
pKi 6.5 [4]
5-ht1e receptor Antagonist Antagonist 6.5 pKi - 4
pKi 6.5 [4]
Selectivity at human transporters
Key to terms and symbols Click column headers to sort
Target Type Action Affinity Units Concentration range (M) Reference
NET Inhibitor Inhibition 7.2 pIC50 - 5
pIC50 7.2 (IC50 7.1x10-8 M) [5]
SERT Inhibitor Inhibition 5.1 pIC50 - 5
pIC50 5.1 (IC50 7.27x10-6 M) [5]
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 8.9 pKi - 3
pKi 8.9 [3]
5-HT7 receptor Antagonist Inverse agonist 8.8 pKi - 3
pKi 8.8 [3]