KEGG   DRUG: D00785Help
Entry
D00785                      Drug                                   

Name
Selegiline hydrochloride (JAN/USP);
Eldepryl (TN)
Product
  Generic
Formula
C13H17N. HCl
Exact mass
223.1128
Mol weight
223.7417
Structure
Mol fileKCF fileDB searchJmolKegDraw
Activity
Antidyskinetic;
Antiparkinsonian [in combination with levodopa/carbidopa] [DS:H00057]
Remark
Therapeutic category: 
ATC code: 
Drug group: 
Target
monoamine oxidase B (MAO-B) inhibitor [HSA:4129] [KO:K00274]
  Pathway
hsa00260  Glycine, serine and threonine metabolism
hsa00330  Arginine and proline metabolism
hsa00340  Histidine metabolism
hsa00350  Tyrosine metabolism
hsa00360  Phenylalanine metabolism
hsa00380  Tryptophan metabolism
hsa00982  Drug metabolism - cytochrome P450
hsa04726  Serotonergic synapse
hsa04728  Dopaminergic synapse  
 
Metabolism
Enzyme: CYP2D6 [HSA:1565], CYP3A4 [HSA:1576]
Interaction
Drug interaction
Structure map
Antidepressants
Antiparkinsonian agents
Catecholamine transferase inhibitors
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 N NERVOUS SYSTEM
  N04 ANTI-PARKINSON DRUGS
   N04B DOPAMINERGIC AGENTS
    N04BD Monoamine oxidase B inhibitors
     N04BD01 Selegiline
      D00785  Selegiline hydrochloride (JAN/USP)
USP drug classification [BR:br08302]
 Antidepressants
  Monoamine Oxidase Inhibitors
   Selegiline
    D00785  Selegiline hydrochloride (JAN/USP)
 Antiparkinson Agents
  Monoamine Oxidase B (MAO-B) Inhibitors
   Selegiline
    D00785  Selegiline hydrochloride (JAN/USP)
Therapeutic category of drugs in Japan [BR:br08301]
 1  Agents affecting nervous system and sensory organs
  11  Agents affecting central nervous system
   116  Antiparkinsonian agents
    1169  Others
     D00785  Selegiline hydrochloride (JAN/USP)
Target-based classification of drugs [BR:br08310]
 Enzymes
  Oxidoreductases
   monoamine oxidase B (MAO-B)
    Selegiline
     D00785  Selegiline hydrochloride (JAN/USP)
Cytochrome P450 interactions [BR:br08309]
 Substrates
  CYP2D6
   Selegiline
    D00785  Selegiline hydrochloride (JAN/USP)
  CYP3A4
   Selegiline
    D00785  Selegiline hydrochloride (JAN/USP)
BRITE hierarchy
Other DBs
CAS: 
14611-52-0
PubChem: 
DrugBank: 
LigandBox: 
NIKKAJI: 
KCF data Show

ATOM        15
            1   C8y C    20.0190  -16.4906
            2   C1b C    21.2208  -15.7904
            3   C8x C    20.0190  -17.8909
            4   C8x C    18.8113  -15.7904
            5   C1c C    22.4345  -16.4789
            6   C8x C    18.8113  -18.5968
            7   C8x C    17.5918  -16.4906
            8   N1c N    22.4402  -17.8849
            9   C1a C    23.6480  -15.7787
            10  C8x C    17.5918  -17.8909
            11  C1b C    23.6480  -18.5734
            12  C1a C    21.2151  -18.5734
            13  C3b C    24.8615  -17.8675
            14  C3a C    26.0764  -17.1787
            15  X   Cl   29.6041  -18.5267
BOND        14
            1     1   2 1
            2     1   3 1
            3     1   4 2
            4     2   5 1
            5     3   6 2
            6     4   7 1
            7     5   8 1 #Up
            8     5   9 1
            9     6  10 1
            10    8  11 1
            11    8  12 1
            12   11  13 1
            13   13  14 3
            14    7  10 2

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