tranylcypromine   Click here for help

GtoPdb Ligand ID: 5281

Synonyms: Parnate® | tranylcypromine sulphate
Approved drug
tranylcypromine is an approved drug (FDA (1961))
Compound class: Synthetic organic
Comment: The approved drug tranylcypromine is a racemic mixture of two enantiomers. The structure shown here does not specify stereochemistry and represents the mixture. The two enantiomers are represented by CID 19493 and CID 26070.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 1
Hydrogen bond donors 1
Rotatable bonds 1
Topological polar surface area 26.02
Molecular weight 133.09
XLogP 1.36
No. Lipinski's rules broken 0
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Canonical SMILES NC1CC1c1ccccc1
Isomeric SMILES NC1CC1c1ccccc1
InChI InChI=1S/C9H11N/c10-9-6-8(9)7-4-2-1-3-5-7/h1-5,8-9H,6,10H2
Selectivity at enzymes
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Target Sp. Type Action Value Parameter Concentration range (M) Reference
Monoamine oxidase B Primary target of this compound Hs Inhibitor Inhibition 4.7 pIC50 - 3
pIC50 4.7 (IC50 1.9x10-5 M) [3]
Monoamine oxidase A Primary target of this compound Hs Inhibitor Inhibition 4.7 pIC50 - 3
pIC50 4.7 (IC50 2x10-5 M) [3]
lysine demethylase 1A Hs Inhibitor Inhibition 4.4 pIC50 - 2
pIC50 4.4 (IC50 3.966x10-5 M) [2]
Description: In vitro KDM1A demethylation assay using purified human KDM1A protein and dimethylated H3K4 peptide as substrate.
CYP8A1 Hs Inhibitor Inhibition - - - 1