Responsive image

Common name


Selegiline

IUPAC name


methyl(1-phenylpropan-2-yl)(prop-2-yn-1-yl)amine

SMILES


CC(CC1=CC=CC=C1)N(C)CC#C

Compound class


Antiparkinson Agents; Neuroprotective Agents; Monoamine Oxidase Inhibitors; Antidyskinetics; Dopaminergics; Nervous System; Antidepressants; Psychoanaleptics; Anti-Parkinson Drugs; Dopaminergic Agents; Monoamine Oxidase B Inhibitors; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP1A2 Inducers; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 CYP2C9 Inducers; Cytochrome P-450 CYP2C19 Inducers; Cytochrome P-450 CYP2C8 Inducers; Cytochrome P-450 CYP2B6 Inducers; Cytochrome P-450 CYP2B6 Inhibitors; CYP2A6 Inhibitors; CYP2A6 Inhibitors (strong); CYP2A6 Inhibitors (moderate); CYP2A6 Inducers; CYP2A6 Inducers (strong); CYP2B6 Inhibitors (strong); CYP2D6 Inducers; CYP2D6 Inducers (strong); CYP2E1 Inhibitors; CYP2E1 Inducers; CYP2E1 Inducers (strong); CYP3A4 Inhibitors;

Therapeutic area


Monotherapy for initial treatment of Parkinson's disease, as well as an adjunct therapy in patients with a decreased response to levodopa/carbadopa. Also used for the palliative treatment of mild to moderate Alzheimer's disease and at higher doses, for the treatment of depression.

Common name


Selegiline

IUPAC name


methyl(1-phenylpropan-2-yl)(prop-2-yn-1-yl)amine

SMILES


CC(CC1=CC=CC=C1)N(C)CC#C

INCHI


InChI=1S/C13H17N/c1-4-10-14(3)12(2)11-13-8-6-5-7-9-13/h1,5-9,12H,10-11H2,2-3H3

FORMULA


C13H17N

Responsive image

Common name


Selegiline

IUPAC name


methyl(1-phenylpropan-2-yl)(prop-2-yn-1-yl)amine

Molecular weight


187.281

clogP


2.850

clogS


-2.693

HBond Acceptor


1

HBond Donor


0

Total Polar
Surface Area


3.24

Number of Rings


1

Rotatable Bond


5

Drug ID Common name Structure CAS SMILE Frequency
FDBF00005 benzene Responsive image c1ccccc1 0.2824
FDBF00007 propane Responsive image C(C)C 0.2412
FDBF00068 N-methylethanamine Responsive image N(CC)C 0.0429
FDBF00193 propylbenzene Responsive image C(c1ccccc1)CC 0.0186
FDBF00289 N,N-dimethylethanamine Responsive image C(C)N(C)C 0.0299
FDBF00739 N,N-dimethylpropan-2-amine Responsive image N(C)(C)C(C)C 0.0058
FDBF02317 N-methylprop-2-yn-1-amine Responsive image N(C)CC#C 0.0010
FDBF02318 N-ethyl-N-methyl-prop-2-yn-1-amine Responsive image C(C)N(C)CC#C 0.0003
FDBF02319 (2R)-N,N-dimethyl-1-phenyl-propan-2-amine Responsive image C(C)(N(C)C)Cc1ccccc1 0.0003
FDBF02320 N-methyl-N-prop-2-ynyl-propan-2-amine Responsive image C(C)(N(C)CC#C)C 0.0003
15 , 2