KEGG   DRUG: D00502Help
Entry
D00502                      Drug                                   
Name
Pergolide mesilate (JAN);
Pergolide mesylate (USP);
Permax (TN)
Formula
C19H26N2S. CH4SO3
Exact mass
410.1698
Mol weight
410.5938
Structure
Mol fileKCF fileDB searchJmolKegDraw
Activity
Antiparkinsonian, Dopamine agonist [DS:H00057]
Remark
Therapeutic category: 
ATC code: 
Comment
Ergot alkaloid derivatives
Target
dopamine D1-receptor agonist [HSA:1812] [KO:K04144];
dopamine D2-receptor agonist [HSA:1813] [KO:K04145]
  Pathway
hsa04020  Calcium signaling pathway
hsa04080  Neuroactive ligand-receptor interaction
hsa04728  Dopaminergic synapse  
 
Metabolism
Enzyme: CYP2D6 [HSA:1565]
Interaction
Drug interaction
Brite
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
     D00502  Pergolide mesilate (JAN); Pergolide mesylate (USP)
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 N NERVOUS SYSTEM
  N04 ANTI-PARKINSON DRUGS
   N04B DOPAMINERGIC AGENTS
    N04BC Dopamine agonists
     N04BC02 Pergolide
      D00502  Pergolide mesilate (JAN); Pergolide mesylate (USP)
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Dopamine
    dopamine D1-receptor [HSA:1812] [KO:K04144]
     Pergolide [ATC:N04BC02]
      D00502  Pergolide mesilate (JAN); Pergolide mesylate (USP)
    dopamine D2-receptor [HSA:1813] [KO:K04145]
     Pergolide [ATC:N04BC02]
      D00502  Pergolide mesilate (JAN); Pergolide mesylate (USP)
BRITE hierarchy
Other DBs
CAS: 
66104-23-2
PubChem: 
DrugBank: 
LigandBox: 
NIKKAJI: 
KCF data Show

ATOM        27
            1   C8y C    18.8582  -21.8811
            2   C8y C    18.8640  -20.5217
            3   C8y C    20.0310  -22.5639
            4   C8y C    17.6679  -22.5579
            5   C1y C    20.0368  -19.8390
            6   C8x C    17.6855  -19.8156
            7   C1x C    21.2097  -21.8870
            8   C8x C    20.0310  -23.9233
            9   N4x N    17.6679  -23.9233
            10  C8x C    16.4893  -21.8637
            11  C1y C    21.2097  -20.5217
            12  C1x C    20.0484  -18.4796
            13  C8x C    16.4951  -20.4924
            14  N1y N    22.3941  -19.8566
            15  C1y C    21.2329  -17.8144
            16  C1x C    22.4057  -18.4970
            17  C1b C    23.5610  -20.5391
            18  C1b C    21.2388  -16.4432
            19  C1b C    24.7513  -19.8682
            20  S2a S    22.4233  -15.7663
            21  C1a C    25.9241  -20.5625
            22  C1a C    22.4349  -14.4011
            23  S4a S    31.2682  -20.5100
            24  C1a C    29.8738  -20.4926
            25  O1d O    32.6628  -20.5042
            26  O1d O    31.2682  -19.1039
            27  O1d O    31.2625  -21.9104
BOND        29
            1     1   2 1
            2     1   3 1
            3     1   4 2
            4     2   5 1
            5     2   6 2
            6     3   7 1
            7     3   8 2
            8     4   9 1
            9     4  10 1
            10    5  11 1
            11    5  12 1
            12    6  13 1
            13   11  14 1
            14   12  15 1
            15   14  16 1
            16   14  17 1
            17   15  18 1 #Up
            18   17  19 1
            19   18  20 1
            20   19  21 1
            21   20  22 1
            22    7  11 1
            23    8   9 1
            24   10  13 2
            25   15  16 1
            26   23  24 1
            27   23  25 1
            28   23  26 2
            29   23  27 2

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