KEGG   DRUG: Pargyline hydrochlorideHelp
Entry
D02564                      Drug                                   

Name
Pargyline hydrochloride (USAN);
Eutonyl (TN)
Formula
C11H13N. HCl
Exact mass
195.0815
Mol weight
195.6886
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Class
Neuropsychiatric agent
 DG01568  MAO inhibitor
  DG01519  Non-selective monoamine oxidase inhibitor
Remark
ATC code: C02KC01
Chemical structure group: DG00264
Efficacy
Antidepressant, Antihypertensive, Monoamine oxidase (MAO) inhibitor
Target
MAO [HSA:4128 4129] [KO:K00274]
  Pathway
hsa04726  Serotonergic synapse
hsa04728  Dopaminergic synapse
Interaction
Drug interaction
Structure map
map07216  Catecholamine transferase inhibitors
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 C CARDIOVASCULAR SYSTEM
  C02 ANTIHYPERTENSIVES
   C02K OTHER ANTIHYPERTENSIVES
    C02KC MAO inhibitors
     C02KC01 Pargyline
      D02564  Pargyline hydrochloride (USAN)
Target-based classification of drugs [BR:br08310]
 Enzymes
  Oxidoreductases (EC1)
   Amine oxidases
    MAO
     D02564  Pargyline hydrochloride (USAN)
BRITE hierarchy
Other DBs
CAS: 306-07-0
PubChem: 17396735
ChEMBL: CHEMBL1200425
LigandBox: D02564
NIKKAJI: J268.733J
LinkDB All DBs
KCF data Show

ATOM        13
            1   C8y C    11.6200  -15.4700
            2   C1b C    12.8100  -14.7700
            3   C8x C    11.6200  -16.8700
            4   C8x C    10.4300  -14.7700
            5   N1c N    14.0700  -15.4700
            6   C8x C    10.4300  -17.5700
            7   C8x C     9.2400  -15.4700
            8   C1b C    15.2600  -14.7700
            9   C1a C    14.0700  -16.8700
            10  C8x C     9.2400  -16.8700
            11  C3b C    16.4500  -15.4700
            12  C3a C    17.7100  -16.1700
            13  X   Cl   22.6100  -16.1700
BOND        12
            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
            8     5   9 1
            9     6  10 1
            10    8  11 1
            11   11  12 3
            12    7  10 2

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KEGG   DRUG: PargylineHelp
Entry
D08453                      Drug                                   

Name
Pargyline (INN)
Formula
C11H13N
Exact mass
159.1048
Mol weight
159.2276
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Class
Neuropsychiatric agent
 DG01568  MAO inhibitor
  DG01519  Non-selective monoamine oxidase inhibitor
Remark
Same as: C07414
ATC code: C02KC01
Chemical structure group: DG00264
Efficacy
Antidepressant, Antihypertensive, Monoamine oxidase (MAO) inhibitor
Target
MAO [HSA:4128 4129] [KO:K00274]
  Pathway
hsa04726  Serotonergic synapse
hsa04728  Dopaminergic synapse
Interaction
Drug interaction
Structure map
map07216  Catecholamine transferase inhibitors
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 C CARDIOVASCULAR SYSTEM
  C02 ANTIHYPERTENSIVES
   C02K OTHER ANTIHYPERTENSIVES
    C02KC MAO inhibitors
     C02KC01 Pargyline
      D08453  Pargyline (INN)
Target-based classification of drugs [BR:br08310]
 Enzymes
  Oxidoreductases (EC1)
   Amine oxidases
    MAO
     D08453  Pargyline (INN)
BRITE hierarchy
Other DBs
CAS: 555-57-7
PubChem: 96025139
ChEBI: 7930
ChEMBL: CHEMBL673
LigandBox: D08453
NIKKAJI: J6.471H
LinkDB All DBs
KCF data Show

ATOM        12
            1   C8y C    24.5000  -17.6400
            2   C1b C    25.6900  -16.9400
            3   C8x C    24.5000  -19.0400
            4   C8x C    23.3100  -16.9400
            5   N1c N    26.9500  -17.6400
            6   C8x C    23.3100  -19.7400
            7   C8x C    22.1200  -17.6400
            8   C1b C    28.1400  -16.9400
            9   C1a C    26.9500  -19.0400
            10  C8x C    22.1200  -19.0400
            11  C3b C    29.3300  -17.6400
            12  C3a C    30.5900  -18.3400
BOND        12
            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
            8     5   9 1
            9     6  10 1
            10    8  11 1
            11   11  12 3
            12    7  10 2

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