amoxapine

Ligand id: 201

Name: amoxapine

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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 1
Topological polar surface area 36.86
Molecular weight 313.1
XLogP 4.07
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
5-HT6 receptor Antagonist Antagonist 7.3 pKi - 2
pKi 7.3 [2]
Selectivity at human transporters
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Target Type Action Affinity Units Concentration range (M) Reference
NET Inhibitor Inhibition 7.9 pKi - 1
pKi 7.9 (Ki 1.3x10-8 M) [1]
SERT Inhibitor Inhibition 7.7 pKi - 1
pKi 7.7 (Ki 1.8x10-8 M) [1]
Selectivity at rat 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 9.0 pKi - 4
pKi 9.0 [4]
5-HT2C receptor Antagonist Antagonist 8.7 pKi - 4
pKi 8.7 [4]
5-HT6 receptor Antagonist Antagonist 7.5 – 8.2 pKi - 3,5
pKi 7.5 – 8.2 [3,5]
5-HT7 receptor Antagonist Antagonist 7.4 pKi - 5
pKi 7.4 [5]
Ligand mentioned in the following text fields