nortriptyline

Ligand id: 2404

Name: nortriptyline

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Structure and Physico-chemical Properties

2D Structure
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Calculated Physico-chemical Properties
Hydrogen bond acceptors 1
Hydrogen bond donors 1
Rotatable bonds 3
Topological polar surface area 12.03
Molecular weight 263.17
XLogP 4.69
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Selectivity at ion channels
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Target Sp. Type Action Value Parameter Concentration range (M) Reference
Kir4.1 Hs Channel blocker Antagonist 4.4 – 4.8 pKd - 4
pKd 4.4 – 4.8 [4]
Voltage: -110.0 – 30.0 mV
Kir3.2 Mm Channel blocker Antagonist 3.9 pIC50 - 3
pIC50 3.9 [3]
Voltage: -70.0 mV
Kir3.4 Mm Channel blocker Antagonist 3.4 pIC50 - 3
pIC50 3.4 [3]
Voltage: -70.0 mV
Selectivity at transporters
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Target Sp. Type Action Value Parameter Concentration range (M) Reference
NET Hs Inhibitor Inhibition 8.2 pKi - 2
pKi 8.2 (Ki 6.3x10-9 M) [2]
SERT Hs Inhibitor Inhibition 8.2 pKi - 1
pKi 8.2 (Ki 6.98x10-9 M) [1]