amitriptyline

Ligand id: 200

Name: amitriptyline

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Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 1
Hydrogen bond donors 0
Rotatable bonds 3
Topological polar surface area 3.24
Molecular weight 277.18
XLogP 8.28
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

View interactive charts of activity data from GtoPdb and ChEMBL (where available) across species

Selectivity at GPCRs
Key to terms and symbols Click column headers to sort
Target Sp. Type Action Affinity Units Concentration range (M) Reference
H1 receptor Hs Antagonist Antagonist 9.3 pKi - 5
pKi 9.3 (Ki 5x10-10 M) [5]
Description: Antagonism of [3H]mepyramine binding
5-HT2A receptor Rn Antagonist Antagonist 8.0 – 8.4 pKi - 10,13
pKi 8.4 [10]
pKi 8.0 (Ki 1.1x10-8 M) [13]
M4 receptor Hs Antagonist Antagonist 8.1 pKi - 12
pKi 8.1 (Ki 7.2x10-9 M) [12]
5-HT2C receptor Rn Antagonist Antagonist 8.1 pKi - 13
pKi 8.1 (Ki 8x10-9 M) [13]
M2 receptor Hs Antagonist Antagonist 7.9 pKi - 12
pKi 7.9 (Ki 1.18x10-8 M) [12]
M3 receptor Hs Antagonist Antagonist 7.9 pKi - 12
pKi 7.9 (Ki 1.28x10-8 M) [12]
M1 receptor Hs Antagonist Antagonist 7.8 pKi - 12
pKi 7.8 (Ki 1.47x10-8 M) [12]
M5 receptor Hs Antagonist Antagonist 7.8 pKi - 12
pKi 7.8 (Ki 1.57x10-8 M) [12]
5-HT6 receptor Hs Antagonist Antagonist 6.9 – 7.2 pKi - 3-4,7
pKi 6.9 – 7.2 [3-4,7]
5-HT7 receptor Rn Antagonist Antagonist 6.9 – 7.0 pKi - 11
pKi 6.9 – 7.0 [11]
5-HT6 receptor Rn Antagonist Antagonist 6.5 – 7.2 pKi - 2,4,8
pKi 6.5 – 7.2 [2,4,8]
5-HT7 receptor Mm Antagonist Antagonist 6.4 pKi - 9
pKi 6.4 [9]
Selectivity at ion channels
Key to terms and symbols Click column headers to sort
Target Sp. Type Action Affinity Units Concentration range (M) Reference
Kir3.2 Mm Channel blocker Antagonist 4.0 pIC50 - 6
pIC50 4.0 [6]
Voltage: -70.0 mV
Kir3.4 Mm Channel blocker Antagonist 3.6 pIC50 - 6
pIC50 3.6 [6]
Voltage: -70.0 mV
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 6.8 pKi - 1
pKi 6.8 (Ki 1.41x10-7 M) [1]
NET Hs Inhibitor Inhibition 6.5 pKi - 1
pKi 6.5 (Ki 3.33x10-7 M) [1]