escitalopram

Ligand id: 7177

Name: escitalopram

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Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 0
Rotatable bonds 5
Topological polar surface area 36.26
Molecular weight 324.16
XLogP 3.96
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 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 8.7 pKd - 1
pKd 8.7 (Kd 2.1x10-9 M) [1]
SERT Hs Inhibitor Inhibition 9.0 pIC50 - 2
pIC50 9.0 (IC50 1x10-9 M) [2]