KEGG   DRUG: D07218Help
Entry
D07218                      Drug                                   

Name
Metergoline (INN)
Formula
C25H29N3O2
Exact mass
403.226
Mol weight
403.5167
Structure
Mol fileKCF fileDB searchJmolKegDraw
Activity
Serotonin antagonist;
Vasodilator
Remark
ATC code: 
Target
5-HT1-receptor antagonist [HSA:3350 3351 3352 3354 3355] [KO:K04153];
5-HT2-receptor antagonist [HSA:3356 3357 3358] [KO:K04157];
5-HT3-receptor antagonist [HSA:3359 9177 170572 200909 285242] [KO:K04819];
5-HT4-receptor antagonist [HSA:3360] [KO:K04160];
5-HT5-receptor antagonist [HSA:3361] [KO:K04161];
5-HT6-receptor antagonist [HSA:3362] [KO:K04162];
5-HT7-receptor antagonist [HSA:3363] [KO:K04163]
  Pathway
hsa04020  Calcium signaling pathway
hsa04080  Neuroactive ligand-receptor interaction
hsa04726  Serotonergic synapse  
 
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-HT1-receptor [HSA:3350 3351 3352 3354 3355] [KO:K04153]
     Metergoline [ATC:G02CB05]
      D07218  Metergoline (INN)
    5-HT2-receptor [HSA:3356 3357 3358] [KO:K04157]
     Metergoline [ATC:G02CB05]
      D07218  Metergoline (INN)
    5-HT4-receptor [HSA:3360] [KO:K04160]
     Metergoline [ATC:G02CB05]
      D07218  Metergoline (INN)
    5-HT5-receptor [HSA:3361] [KO:K04161]
     Metergoline [ATC:G02CB05]
      D07218  Metergoline (INN)
    5-HT6-receptor [HSA:3362] [KO:K04162]
     Metergoline [ATC:G02CB05]
      D07218  Metergoline (INN)
    5-HT7-receptor [HSA:3363] [KO:K04163]
     Metergoline [ATC:G02CB05]
      D07218  Metergoline (INN)
BRITE hierarchy
Other DBs
CAS: 
17692-51-2
PubChem: 
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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