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 ChEMBL and GtoPdb across species (New!)

Selectivity at human GPCRs
Key to terms and symbols Click column headers to sort
Target Type Action Affinity Units Concentration range (M) Reference
H1 receptor Antagonist Antagonist 8.4 pKi - 3
pKi 8.4 (Ki 4x10-9 M) [3]
M1 receptor Antagonist Antagonist 7.7 pKi - 2
pKi 7.7 (Ki 1.8x10-8 M) [2]
M3 receptor Antagonist Antagonist 7.4 pKi - 2
pKi 7.4 (Ki 3.8x10-8 M) [2]
M4 receptor Antagonist Antagonist 7.2 pKi - 2
pKi 7.2 (Ki 6.1x10-8 M) [2]
M5 receptor Antagonist Antagonist 7.0 pKi - 2
pKi 7.0 (Ki 9.2x10-8 M) [2]
M2 receptor Antagonist Antagonist 7.0 pKi - 2
pKi 7.0 (Ki 1.09x10-7 M) [2]
Selectivity at human transporters
Key to terms and symbols Click column headers to sort
Target Type Action Affinity Units Concentration range (M) Reference
SERT Inhibitor Inhibition 8.1 pKi - 4
pKi 8.1 (Ki 8.6x10-9 M) [4]
NET Inhibitor Inhibition 7.3 pKi - 4
pKi 7.3 (Ki 4.6x10-8 M) [4]