KEGG   DRUG: CabergolineHelp
Entry
D00987                      Drug                                   

Name
Cabergoline (JAN/USAN/INN);
Cabaser (TN);
Dostinex (TN)
Product
  Generic
Formula
C26H37N5O2
Exact mass
451.2947
Mol weight
451.6043
Structure
Mol fileKCF fileDB searchJmolKegDraw
Simcomp SIMCOMP
Class
Neuropsychiatric agent
 DG01472  Dopamine agonist
  DG01468  Dopamine D2-receptor agonist
 DG01964  Ergot alkaloid
 DG01967  Antiparkinson agent
Cyp substrate
 DG01633  CYP3A substrate
Remark
Same as: 
Therapeutic category: 
ATC code: 
Product: 
D00987<JP/US>
Efficacy
Antiparkinsonian, Antidyskinetic, Dopamine D2 receptor agonist, Prolactin inhibitor
  Disease
Hyperprolactinemic [DS:H01388]
Comment
Ergot alkaloid derivative
Target
DRD2 [HSA:1813] [KO:K04145]
PRL [HSA:5617] [KO:K05439]
  Pathway
Neuroactive ligand-receptor interaction
Dopaminergic synapse
Prolactin signaling pathway
Parkinson's disease
Metabolism
Enzyme: CYP3A4 [HSA:1576]
Interaction
Drug interaction
Structure map
Antiparkinsonian agents
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 G GENITO URINARY SYSTEM AND SEX HORMONES
  G02 OTHER GYNECOLOGICALS
   G02C OTHER GYNECOLOGICALS
    G02CB Prolactine inhibitors
     G02CB03 Cabergoline
      D00987  Cabergoline (JAN/USAN/INN)
 N NERVOUS SYSTEM
  N04 ANTI-PARKINSON DRUGS
   N04B DOPAMINERGIC AGENTS
    N04BC Dopamine agonists
     N04BC06 Cabergoline
      D00987  Cabergoline (JAN/USAN/INN)
USP drug classification [BR:br08302]
 Hormonal Agents, Suppressant (Pituitary)
  Cabergoline
   D00987  Cabergoline (JAN/USAN/INN)
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
     D00987  Cabergoline (JAN/USAN/INN)
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Dopamine
    dopamine D2-receptor
     Cabergoline
      D00987  Cabergoline (JAN/USAN/INN)
Drug classes of therapeutic agents [br08360.html]
 Neurological agents
  D00987
 Endocrine and hormonal agents
  D00987
BRITE hierarchy
Other DBs
CAS: 
81409-90-7
PubChem: 
ChEBI: 
ChEMBL: 
DrugBank: 
LigandBox: 
NIKKAJI: 
LinkDB All DBs
KCF data Show

ATOM        33
            1   C1y C    16.1698  -12.6119
            2   C8y C    14.9855  -13.3060
            3   C1y C    17.3599  -13.3003
            4   C1x C    16.1698  -11.2350
            5   C8y C    14.9855  -14.6829
            6   C8x C    13.7895  -12.6176
            7   N1y N    18.5501  -12.6119
            8   C1x C    17.3658  -14.6771
            9   C1y C    17.3599  -10.5524
            10  C8y C    16.1698  -15.3656
            11  C8y C    13.7895  -15.3656
            12  C8x C    12.6052  -13.3060
            13  C1x C    18.5501  -11.2350
            14  C1b C    19.7344  -13.2944
            15  C5a C    17.3482   -9.1755
            16  C8x C    16.1698  -16.7424
            17  N4x N    13.7895  -16.7424
            18  C8x C    12.5993  -14.6829
            19  C2b C    20.9245  -12.6059
            20  N1c N    18.5384   -8.4871
            21  O5a O    16.1581   -8.4871
            22  C2a C    22.1088  -13.2886
            23  C5a C    18.5325   -7.1104
            24  C1b C    19.7227   -9.1698
            25  N1b N    19.7168   -6.4277
            26  O5a O    17.3365   -6.4277
            27  C1b C    20.9187   -8.4813
            28  C1b C    20.9070   -7.1045
            29  C1b C    22.1030   -9.1640
            30  C1a C    22.0913   -6.4220
            31  N1c N    23.2931   -8.4756
            32  C1a C    24.4774   -9.1581
            33  C1a C    23.9698   -7.2796
BOND        36
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     2   5 2
            5     2   6 1
            6     3   7 1
            7     3   8 1
            8     4   9 1
            9     5  10 1
            10    5  11 1
            11    6  12 2
            12    7  13 1
            13    7  14 1
            14    9  15 1 #Up
            15   10  16 2
            16   11  17 1
            17   11  18 2
            18   14  19 1
            19   15  20 1
            20   15  21 2
            21   19  22 2
            22   20  23 1
            23   20  24 1
            24   23  25 1
            25   23  26 2
            26   24  27 1
            27   25  28 1
            28   27  29 1
            29   28  30 1
            30   29  31 1
            31   31  32 1
            32   31  33 1
            33    8  10 1
            34    9  13 1
            35   12  18 1
            36   16  17 1

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