paroxetine

Ligand id: 4790

Name: paroxetine

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Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 1
Hydrogen bond donors 1
Rotatable bonds 4
Topological polar surface area 39.72
Molecular weight 329.14
XLogP 4.06
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 ion channels
Key to terms and symbols Click column headers to sort
Target Sp. Type Action Affinity Units Concentration range (M) Reference
P2X4 Hs Antagonist Antagonist 5.0 – 6.0 pIC50 - 2-3
pIC50 5.0 – 6.0 [2-3]
Selectivity at transporters
Key to terms and symbols Click column headers to sort
Target Sp. Type Action Affinity Units Concentration range (M) Reference
SERT Hs Inhibitor Inhibition 10.1 pKd - 1
pKd 10.1 (Kd 8x10-11 M) [1]
SERT Hs Inhibitor Inhibition 9.6 pKi - 4
pKi 9.6 (Ki 2.5x10-10 M) [4]