KEGG   DRUG: MetergolineHelp
Entry
D07218                      Drug                                   

Name
Metergoline (INN)
Formula
C25H29N3O2
Exact mass
403.226
Mol weight
403.5167
Structure
Mol fileKCF fileDB searchJmolKegDraw
Class
Neuropsychiatric agent
 DG01964  Ergot alkaloid
  DG01963  Vasodilator, ergot alkaloid
Other
 DG01489  5-HT3-receptor antagonist
Remark
ATC code: 
Chemical group: 
Activity
Vasodilator, Serotonin receptor antagonist
Comment
Ergot alkaloid
Target
HTR1D [HSA:3352] [KO:K04153];
HTR1B [HSA:3351] [KO:K04153]
  Pathway
Calcium signaling pathway
Neuroactive ligand-receptor interaction
Serotonergic synapse
Interaction
Drug interaction
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 G GENITO URINARY SYSTEM AND SEX HORMONES
  G02 OTHER GYNECOLOGICALS
   G02C OTHER GYNECOLOGICALS
    G02CB Prolactine inhibitors
     G02CB05 Metergoline
      D07218  Metergoline (INN)
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Serotonin
    5-HT1B-receptor
     Metergoline
      D07218  Metergoline (INN)
    5-HT1D-receptor
     Metergoline
      D07218  Metergoline (INN)
    5-HT1-receptor
     Metergoline
      D07218  Metergoline (INN)
    5-HT2-receptor
     Metergoline
      D07218  Metergoline (INN)
    5-HT3-receptor
     Metergoline
      D07218  Metergoline (INN)
    5-HT5-receptor
     Metergoline
      D07218  Metergoline (INN)
    5-HT6-receptor
     Metergoline
      D07218  Metergoline (INN)
    5-HT7-receptor
     Metergoline
      D07218  Metergoline (INN)
BRITE hierarchy
Other DBs
CAS: 
17692-51-2
PubChem: 
ChEBI: 
ChEMBL: 
LigandBox: 
NIKKAJI: 
KCF data Show

ATOM        30
            1   C1y C    37.1700  -27.0900
            2   C8y C    35.9800  -27.7900
            3   C1y C    38.3600  -27.7900
            4   C1x C    37.1700  -25.6900
            5   C8y C    35.9800  -29.1900
            6   C8x C    34.7900  -27.0900
            7   N1y N    39.5500  -27.0900
            8   C1x C    38.3600  -29.1900
            9   C1y C    38.3600  -25.0600
            10  C8y C    37.1700  -29.8900
            11  C8y C    34.7900  -29.8900
            12  C8x C    33.6000  -27.7900
            13  C1x C    39.5500  -25.6900
            14  C1a C    40.7400  -27.7900
            15  C8x C    37.1700  -31.2200
            16  N4y N    34.7900  -31.2200
            17  C8x C    33.6000  -29.1900
            18  C1b C    38.3591  -23.6600
            19  N1b N    39.5717  -22.9588
            20  C7a C    40.7687  -23.6490
            21  O7a O    41.9544  -22.9634
            22  C1b C    43.1474  -23.6513
            23  O6a O    40.7698  -25.0597
            24  C8y C    44.3351  -22.9646
            25  C8x C    45.5270  -23.6520
            26  C8x C    46.7391  -22.9513
            27  C8x C    46.7384  -21.5513
            28  C8x C    45.5464  -20.8640
            29  C8x C    44.3344  -21.5646
            30  C1a C    33.8001  -32.2099
BOND        34
            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   10  15 2
            15   11  16 1
            16   11  17 2
            17    8  10 1
            18    9  13 1
            19   12  17 1
            20   15  16 1
            21    9  18 1 #Up
            22   18  19 1
            23   19  20 1
            24   20  21 1
            25   21  22 1
            26   20  23 2
            27   22  24 1
            28   24  25 2
            29   25  26 1
            30   26  27 2
            31   27  28 1
            32   28  29 2
            33   24  29 1
            34   16  30 1

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