clorgiline   Click here for help

GtoPdb Ligand ID: 6636

Synonyms: chlorgyline | clorgyline
PDB Ligand
Compound class: Synthetic organic
Comment: Clorgiline is an analogue of pargyline.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 1
Hydrogen bond donors 0
Rotatable bonds 6
Topological polar surface area 12.47
Molecular weight 271.05
XLogP 3.66
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES C#CCN(CCCOc1ccc(cc1Cl)Cl)C
Isomeric SMILES C#CCN(CCCOc1ccc(cc1Cl)Cl)C
InChI InChI=1S/C13H15Cl2NO/c1-3-7-16(2)8-4-9-17-13-6-5-11(14)10-12(13)15/h1,5-6,10H,4,7-9H2,2H3
InChI Key BTFHLQRNAMSNLC-UHFFFAOYSA-N
Selectivity at enzymes
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Target Sp. Type Action Value Parameter Concentration range (M) Reference
Monoamine oxidase A Hs Inhibitor Inhibition - - -