dosulepin

Ligand id: 7549

Name: dosulepin

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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 28.54
Molecular weight 295.14
XLogP 5.85
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 8.4 pKi - 3
pKi 8.4 (Ki 4x10-9 M) [3]
M1 receptor Hs Antagonist Antagonist 7.7 pKi - 2
pKi 7.7 (Ki 1.8x10-8 M) [2]
M3 receptor Hs Antagonist Antagonist 7.4 pKi - 2
pKi 7.4 (Ki 3.8x10-8 M) [2]
M4 receptor Hs Antagonist Antagonist 7.2 pKi - 2
pKi 7.2 (Ki 6.1x10-8 M) [2]
M5 receptor Hs Antagonist Antagonist 7.0 pKi - 2
pKi 7.0 (Ki 9.2x10-8 M) [2]
M2 receptor Hs Antagonist Antagonist 7.0 pKi - 2
pKi 7.0 (Ki 1.09x10-7 M) [2]
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 8.1 pKi - 4
pKi 8.1 (Ki 8.6x10-9 M) [4]
NET Hs Inhibitor Inhibition 7.3 pKi - 4
pKi 7.3 (Ki 4.6x10-8 M) [4]