KEGG   DRUG: Ergonovine maleateHelp
Entry
D01163                      Drug                                   

Name
Ergonovine maleate (USP);
Ergometrine maleate (JP17);
Ergometrine (TN)
Formula
C19H23N3O2. C4H4O4
Exact mass
441.19
Mol weight
441.477
Structure
Mol fileKCF fileDB searchJmolKegDraw
Simcomp SIMCOMP
Class
Neuropsychiatric agent
 DG01964  Ergot alkaloid
Cyp substrate
 DG01633  CYP3A substrate
Remark
Therapeutic category: 
ATC code: 
Chemical group: 
Activity
Hemostatic, Oxytocic
Comment
Ergot alkaloid
Target
HTR1 [HSA:3350 3351 3352 3354 3355] [KO:K04153];
ADRA1 [HSA:148 147 146] [KO:K04135 K04136 K04137];
ADRA2 [HSA:150 151 152] [KO:K04138 K04139 K04140];
DRD2 [HSA:1813] [KO:K04145]
  Pathway
Calcium signaling pathway
Neuroactive ligand-receptor interaction
Vascular smooth muscle contraction
Serotonergic synapse
Dopaminergic synapse
Metabolism
Enzyme: CYP3A4 [HSA:1576]
Interaction
Drug interaction
Structure map
alpha-Adrenergic receptor agonists/antagonists
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 G GENITO URINARY SYSTEM AND SEX HORMONES
  G02 OTHER GYNECOLOGICALS
   G02A UTEROTONICS
    G02AB Ergot alkaloids
     G02AB03 Ergometrine
      D01163  Ergonovine maleate (USP)
Therapeutic category of drugs in Japan [BR:br08301]
 2  Agents affecting individual organs
  25  Urogenital and anal organ agents
   253  Oxytocics
    2531  Ergots
     D01163  Ergonovine maleate (USP); Ergometrine maleate (JP17)
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Adrenaline
    alpha1-adrenergic receptor
     Ergometrine
      D01163  Ergonovine maleate (USP)
    alpha2-adrenergic receptor
     Ergometrine
      D01163  Ergonovine maleate (USP)
   Dopamine
    dopamine D2-receptor
     Ergometrine
      D01163  Ergonovine maleate (USP)
   Serotonin
    5-HT1-receptor
     Ergometrine
      D01163  Ergonovine maleate (USP)
Cytochrome P450 interactions [BR:br08309]
 CYP substrates
  CYP3A4
   Ergometrine
    D01163  Ergonovine maleate (USP)
Drugs listed in the Japanese Pharmacopoeia [BR:br08311]
 Chemicals
  D01163  Ergometrine maleate
  D01163  Ergometrine maleate tablets
  D01163  Ergometrine maleate injection
Phytochemicals used as drugs [BR:br08306]
 Alkaloids
  Alkaloids derived from tryptophan and anthranillic acid
   Indole alkaloids
    D01163  Ergometrine maleate (JP15); Ergonovine maleate (USP)
Endocrine and hormonal agents [br08373.html]
 Other gynecological agents
  D01163
BRITE hierarchy
Other DBs
CAS: 
129-51-1
PubChem: 
ChEBI: 
ChEMBL: 
LigandBox: 
NIKKAJI: 
KCF data Show

ATOM        32
            1   C8x C    21.3905  -16.1433
            2   C8x C    21.3905  -17.5095
            3   C8x C    22.5765  -15.4603
            4   C8y C    23.7556  -16.1433
            5   C1x C    26.1159  -17.5196
            6   C2y C    24.9417  -15.4653
            7   C1y C    26.1161  -16.1562
            8   N1y N    27.3016  -15.4845
            9   C1y C    26.1385  -13.4312
            10  C2x C    24.9528  -14.1026
            11  C8y C    23.7498  -17.5095
            12  C8y C    22.5732  -18.1867
            13  N4x N    22.5716  -19.5443
            14  C8x C    24.9230  -19.5472
            15  C8y C    24.9246  -18.1897
            16  C5a C    26.0796  -12.0650
            17  N1b N    27.2683  -11.3917
            18  O5a O    24.9022  -11.3722
            19  C1c C    28.4457  -12.0844
            20  C1b C    29.6345  -11.4111
            21  C1a C    28.4791  -16.1774
            22  C1x C    27.3159  -14.1239
            23  O1a O    30.8223  -12.1102
            24  C1a C    28.4344  -13.5099
            25  C6a C    37.4774  -17.5583
            26  C2b C    36.7961  -16.3829
            27  O6a O    36.8023  -18.7398
            28  O6a O    38.8405  -17.5519
            29  C2b C    35.1644  -16.3890
            30  C6a C    34.4892  -17.5706
            31  O6a O    33.1261  -17.5706
            32  O6a O    35.1769  -18.7460
BOND        34
            1    16  17 1
            2     4   3 2
            3    16  18 2
            4     3   1 1
            5    17  19 1
            6    19  20 1
            7     6   7 1
            8     8  21 1
            9     7   8 1
            10    8  22 1
            11   22   9 1
            12    9  10 1
            13   10   6 2
            14    4  11 1
            15   15   5 1
            16    5   7 1
            17    6   4 1
            18   11  12 2
            19   12  13 1
            20   14  15 2
            21   15  11 1
            22   13  14 1
            23    1   2 2
            24    9  16 1 #Up
            25    2  12 1
            26   20  23 1
            27   19  24 1 #Down
            28   25  26 1
            29   25  27 1
            30   25  28 2
            31   26  29 2
            32   29  30 1
            33   30  31 1
            34   30  32 2

» Japanese version   » Back

DBGET integrated database retrieval system