rasagiline   

GtoPdb Ligand ID: 6641

Synonyms: Azilect® | TVP-1012
rasagiline is an approved drug (EMA (2005), FDA (2006))
Compound class: Synthetic organic
Comment: Marketed formulations may contain rasagiline mesylate (PubChem CID 3052775).
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2D Structure
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Physico-chemical Properties
Hydrogen bond acceptors 1
Hydrogen bond donors 1
Rotatable bonds 2
Topological polar surface area 12.03
Molecular weight 171.1
XLogP 2.11
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Canonical SMILES C#CCNC1CCc2c1cccc2
Isomeric SMILES C#CCN[C@@H]1CCc2c1cccc2
InChI InChI=1S/C12H13N/c1-2-9-13-12-8-7-10-5-3-4-6-11(10)12/h1,3-6,12-13H,7-9H2/t12-/m1/s1
InChI Key RUOKEQAAGRXIBM-GFCCVEGCSA-N
Selectivity at enzymes
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Target Sp. Type Action Value Parameter Concentration range (M) Reference
Monoamine oxidase B Hs Inhibitor Inhibition 7.8 pIC50 - 1
pIC50 7.8 (IC50 1.4x10-8 M) [1]