KEGG   DRUG: Lergotrile mesylate
Entry
D04694                      Drug                                   

Name
Lergotrile mesylate (USAN)
Formula
C17H18ClN3. CH4SO3
Exact mass
395.107
Mol weight
395.9036
Structure
Simcomp
Class
Neuropsychiatric agent
 DG01472  Dopamine agonist
  DG01468  Dopamine D2-receptor agonist
 DG01964  Ergot alkaloid
 DG01967  Antiparkinson agent
Remark
Chemical structure group: DG01319
Efficacy
Antiparkinsonian, Dopamine receptor agonist
Comment
Ergot alkaloid
Target
DRD2 [HSA:1813] [KO:K04145]
  Pathway
hsa04080  Neuroactive ligand-receptor interaction
hsa04728  Dopaminergic synapse
Interaction
Brite
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Dopamine
    DRD2
     D04694  Lergotrile mesylate (USAN)
Other DBs
CAS: 51473-23-5
PubChem: 47206527
ChEMBL: CHEMBL2107181
LigandBox: D04694
NIKKAJI: J268.973A
LinkDB
KCF data

ATOM        26
            1   C8x C    34.4150  -26.1239
            2   C8x C    34.4150  -27.5066
            3   C8y C    35.6124  -28.1979
            4   C8y C    36.8099  -27.5066
            5   C8y C    36.8099  -26.1239
            6   C8x C    35.6124  -25.4325
            7   C8y C    38.0074  -28.1979
            8   C1x C    39.2048  -27.5066
            9   C1y C    39.2048  -26.1239
            10  C1y C    38.0074  -25.4325
            11  N1y N    40.4024  -25.4325
            12  C1x C    40.4024  -24.0498
            13  C1y C    39.2048  -23.3585
            14  C1x C    38.0074  -24.0498
            15  N4x N    36.1374  -29.6950
            16  C8y C    37.5125  -29.6887
            17  C1a C    41.6203  -26.1359
            18  C1b C    39.2048  -21.9758
            19  C3b C    40.3877  -21.2929
            20  N3a N    41.5852  -20.6015
            21  X   Cl   38.3434  -30.8343
            22  O1d O    47.4810  -25.0302
            23  S4a S    47.4810  -26.4282
            24  C1a C    46.0832  -26.4282
            25  O1d O    48.8789  -26.4282
            26  O1d O    47.4810  -27.8259
BOND        28
            1     1   2 2
            2     2   3 1
            3     3   4 2
            4     4   5 1
            5     5   6 2
            6     1   6 1
            7     4   7 1
            8     7   8 1
            9     8   9 1
            10    9  10 1
            11    5  10 1
            12    9  11 1
            13   11  12 1
            14   12  13 1
            15   13  14 1
            16   10  14 1
            17    3  15 1
            18   15  16 1
            19    7  16 2
            20   11  17 1
            21   13  18 1 #Up
            22   18  19 1
            23   19  20 3
            24   16  21 1
            25   22  23 2
            26   23  24 1
            27   23  25 1
            28   23  26 2

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