KEGG   DRUG: Lisuride maleate
Entry
D01462                      Drug                                   
Name
Lisuride maleate (JAN)
Formula
C20H26N4O. C4H4O4
Exact mass
454.2216
Mol weight
454.5188
Structure
Simcomp
Class
Neuropsychiatric agent
 DG01483  5-HT1A-receptor agonist
 DG01472  Dopamine agonist
  DG01468  Dopamine D2-receptor agonist
 DG01964  Ergot alkaloid
  DG01982  Antimigraine, ergot alkaloid
Remark
ATC code: G02CB02 N02CA07
Chemical structure group: DG00453
Efficacy
Antimigraine, Dopamine receptor agonist
Comment
Ergot alkaloid
Prolactin inhibitor
Target
DRD2 [HSA:1813] [KO:K04145]
DRD3 [HSA:1814] [KO:K04146]
DRD4 [HSA:1815] [KO:K04147]
  Pathway
hsa04080  Neuroactive ligand-receptor interaction
hsa04728  Dopaminergic synapse
Interaction
Structure map
map07048  Antimigraines
map07211  Serotonin receptor agonists/antagonists
map07213  Dopamine receptor agonists/antagonists
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 G GENITO URINARY SYSTEM AND SEX HORMONES
  G02 OTHER GYNECOLOGICALS
   G02C OTHER GYNECOLOGICALS
    G02CB Prolactine inhibitors
     G02CB02 Lisuride
      D01462  Lisuride maleate (JAN)
 N NERVOUS SYSTEM
  N02 ANALGESICS
   N02C ANTIMIGRAINE PREPARATIONS
    N02CA Ergot alkaloids
     N02CA07 Lisuride
      D01462  Lisuride maleate (JAN)
Drug groups [BR:br08330]
 Neuropsychiatric agent
  DG01483  5-HT1A-receptor agonist
   DG00453  Lisuride
    D01462  Lisuride maleate
  DG01472  Dopamine agonist
   DG01468  Dopamine D2-receptor agonist
    DG00453  Lisuride
     D01462  Lisuride maleate
  DG01964  Ergot alkaloid
   DG01982  Antimigraine, ergot alkaloid
    DG00453  Lisuride
     D01462  Lisuride maleate
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Dopamine
    DRD2
     D01462  Lisuride maleate (JAN)
    DRD3
     D01462  Lisuride maleate (JAN)
    DRD4
     D01462  Lisuride maleate (JAN)
Drug groups [BR:br08330]
 Neuropsychiatric agent
  DG01483  5-HT1A-receptor agonist
   DG00453  Lisuride
  DG01472  Dopamine agonist
   DG01468  Dopamine D2-receptor agonist
    DG00453  Lisuride
  DG01964  Ergot alkaloid
   DG01982  Antimigraine, ergot alkaloid
    DG00453  Lisuride
Other DBs
CAS: 19875-60-6
PubChem: 7848525
ChEBI: 31776
LigandBox: D01462
NIKKAJI: J240.215G
KCF data

ATOM        33
            1   C8x C    23.3538  -18.5435
            2   C8x C    23.3538  -19.9101
            3   C8x C    24.5401  -17.8602
            4   C8y C    25.7194  -18.5435
            5   C1x C    28.0806  -19.9202
            6   C2y C    26.9060  -17.8653
            7   C1y C    28.0807  -18.5564
            8   N1y N    29.2665  -17.8845
            9   C1y C    28.1031  -15.8306
            10  C2x C    26.8470  -16.5022
            11  C8y C    25.7136  -19.9101
            12  C8y C    24.5368  -20.5875
            13  N4x N    24.5351  -21.9921
            14  C8x C    26.8873  -21.9484
            15  C8y C    26.8889  -20.5905
            16  N1b N    28.1142  -14.4640
            17  C5a C    29.3033  -13.7905
            18  N1c N    30.4810  -14.4833
            19  C1b C    31.6703  -13.8098
            20  C1a C    30.4445  -18.5776
            21  C1b C    30.4699  -15.8500
            22  C1x C    29.2808  -16.5235
            23  C1a C    31.6477  -16.5428
            24  C1a C    32.8481  -14.5029
            25  O5a O    29.2995  -12.4100
            26  C6a C    39.4265  -20.0084
            27  C2b C    38.7455  -18.8337
            28  O6a O    38.7517  -21.1893
            29  O6a O    40.7887  -20.0020
            30  C2b C    37.1147  -18.8398
            31  C6a C    36.4399  -20.0207
            32  O6a O    35.0776  -20.0207
            33  O6a O    37.1272  -21.1955
BOND        35
            1    10   6 2
            2     4  11 1
            3    15   5 1
            4     5   7 1
            5     6   4 1
            6    11  12 2
            7    12  13 1
            8    14  15 2
            9    15  11 1
            10   13  14 1
            11    1   2 2
            12    9  16 1 #Down
            13    2  12 1
            14   19  24 1
            15   16  17 1
            16    4   3 2
            17    3   1 1
            18   17  18 1
            19   18  19 1
            20    6   7 1
            21    8  20 1
            22    7   8 1
            23   18  21 1
            24    8  22 1
            25   22   9 1
            26   21  23 1
            27    9  10 1
            28   17  25 2
            29   26  27 1
            30   26  28 1
            31   26  29 2
            32   27  30 2
            33   30  31 1
            34   31  32 1
            35   31  33 2

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