phenelzine

Ligand id: 7266

Name: phenelzine

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Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 2
Hydrogen bond donors 2
Rotatable bonds 3
Topological polar surface area 38.05
Molecular weight 136.1
XLogP 2.9
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

View interactive charts of activity data from ChEMBL and GtoPdb across species (New!)

Bioactivity Comments
Prusevich et al (2014) report the inactivation efficiency (Kinact) of phenelzine against human MAO-A and MAO-B as 820nM and 3900nM respectively [4].
Selectivity at human enzymes
Key to terms and symbols Click column headers to sort
Target Type Action Affinity Units Concentration range (M) Reference
Monoamine oxidase B Inhibitor Irreversible inhibition 7.8 pKi - 1
pKi 7.8 (Ki 1.5x10-8 M) [1]
Monoamine oxidase A Inhibitor Irreversible inhibition 7.3 pKi - 1
pKi 7.3 (Ki 4.7x10-8 M) [1]
CYP2C8 Inhibitor Inhibition 5.1 pKi - 2
pKi 5.1 (Ki 7.266x10-6 M) [2]
amine oxidase, copper containing 3 Inhibitor Inhibition 7.7 pIC50 - 3
pIC50 7.7 (IC50 1.995x10-8 M) [3]
Selectivity at human transporters
Key to terms and symbols Click column headers to sort
Target Type Action Affinity Units Concentration range (M) Reference
DAT Inhibitor Inhibition 5.1 pKi - 5
pKi 5.1 (Ki 8.4x10-6 M) [5]
NET Inhibitor Inhibition <5.0 pKi - 5
pKi <5.0 (Ki >1x10-5 M) [5]
SERT Inhibitor Inhibition <5.0 pKi - 5
pKi <5.0 (Ki >1x10-5 M) [5]