Ligand id: 7428

Name: moclobemide

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View more information in the IUPHAR Pharmacology Education Project: moclobemide

Structure and Physico-chemical Properties

2D Structure
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Calculated Physico-chemical Properties
Hydrogen bond acceptors 4
Hydrogen bond donors 1
Rotatable bonds 5
Topological polar surface area 41.57
Molecular weight 268.1
XLogP 1.5
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Selectivity at enzymes
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Target Sp. Type Action Value Parameter Concentration range (M) Reference
Monoamine oxidase A Hs Inhibitor Inhibition 8.3 pKi - 2
pKi 8.3 (Ki 5x10-9 M) [2]
Monoamine oxidase B Hs Inhibitor Inhibition 6.0 pKi - 2
pKi 6.0 (Ki 1.08x10-6 M) [2]