KEGG   DRUG: D02211Help
Entry
D02211                      Drug                                   

Name
Dihydroergotamine mesilate (JP16);
Dihydroergotamine mesylate (USP);
Migranal (TN)
Product
  Generic
Formula
C33H37N5O5. CH4SO3
Exact mass
679.2676
Mol weight
679.783
Structure
Mol fileKCF fileDB searchJmolKegDraw
Activity
Anti-adrenergic
Remark
Therapeutic category: 
ATC code: 
Drug group: 
Target
5-HT1A-receptor agonist/antagonist [HSA:3350] [KO:K04153];
alpha1-adrenergic receptor agonist/antagonist [HSA:146 147 148] [KO:K04137 K04136 K04135];
dopamine D2-receptor agonist [HSA:1813] [KO:K04145]
  Pathway
hsa04020  Calcium signaling pathway
hsa04080  Neuroactive ligand-receptor interaction
hsa04270  Vascular smooth muscle contraction
hsa04540  Gap junction
hsa04970  Salivary secretion  
 
Metabolism
Enzyme: CYP3A [HSA:1576 1577 1551]
Interaction
Drug interaction
Structure map
Antimigraines
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 N NERVOUS SYSTEM
  N02 ANALGESICS
   N02C ANTIMIGRAINE PREPARATIONS
    N02CA Ergot alkaloids
     N02CA01 Dihydroergotamine
      D02211  Dihydroergotamine mesilate (JP16); Dihydroergotamine mesylate (USP)
USP drug classification [BR:br08302]
 Antimigraine Agents
  Ergot Alkaloids
   Dihydroergotamine
    D02211  Dihydroergotamine mesilate (JP16); Dihydroergotamine mesylate (USP)
Therapeutic category of drugs in Japan [BR:br08301]
 2  Agents affecting individual organs
  21  Cardiovascular agents
   216  Vasoconstrictors
    2160  Vasoconstrictors
     D02211  Dihydroergotamine mesilate (JP16); Dihydroergotamine mesylate (USP)
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Adrenaline
    alpha1-adrenergic receptor
     Dihydroergotamine
      D02211  Dihydroergotamine mesylate (USP)
   Dopamine
    dopamine D2-receptor
     Dihydroergotamine
      D02211  Dihydroergotamine mesylate (USP)
   Serotonin
    5-HT1A-receptor
     Dihydroergotamine
      D02211  Dihydroergotamine mesylate (USP)
Cytochrome P450 interactions [BR:br08309]
 Inhbitors
  CYP3A
   Dihydroergotamine
    D02211  Dihydroergotamine mesilate (JP16); Dihydroergotamine mesylate (USP)
Drugs listed in the Japanese Pharmacopoeia [BR:br08311]
 Chemicals
  D02211  Dihydroergotamine mesilate
BRITE hierarchy
Other DBs
CAS: 
6190-39-2
PubChem: 
DrugBank: 
LigandBox: 
NIKKAJI: 
KCF data Show

ATOM        48
            1   C1z C    21.8848  -14.3760
            2   N1y N    21.8849  -15.6808
            3   C1y C    23.0033  -13.6769
            4   O2x O    20.7198  -13.6769
            5   O1a O    21.8382  -13.0246
            6   C1y C    23.0033  -16.3333
            7   C5x C    19.5548  -15.6808
            8   N1y N    24.1684  -14.3760
            9   C1x C    23.0033  -12.3721
            10  C1z C    19.5548  -14.3760
            11  C5x C    24.1684  -15.6808
            12  C1b C    23.0033  -17.6847
            13  O5x O    18.6227  -16.6129
            14  C1x C    25.2868  -13.7235
            15  C1x C    25.2868  -12.3721
            16  N1b N    17.8771  -13.6304
            17  C1a C    19.5548  -12.9313
            18  O5x O    25.2868  -16.3799
            19  C8y C    24.1218  -18.3372
            20  C5a C    16.3859  -14.3294
            21  C8x C    24.1218  -19.6420
            22  C8x C    25.2868  -17.6847
            23  C1y C    16.3859  -15.6808
            24  O5a O    15.2207  -13.6769
            25  C8x C    25.2402  -20.2944
            26  C8x C    26.4052  -18.3372
            27  C1x C    15.2207  -16.3333
            28  C1x C    17.5509  -16.3333
            29  C8x C    26.4052  -19.6420
            30  C1y C    15.2207  -17.6381
            31  N1y N    17.5509  -17.6381
            32  C8y C    14.1023  -18.2906
            33  C1y C    16.3859  -18.3372
            34  C1a C    18.6693  -18.3372
            35  C8y C    14.1023  -19.6420
            36  C8x C    12.9373  -17.6381
            37  C1x C    16.3859  -19.6420
            38  C8y C    15.2207  -20.2944
            39  C8y C    12.9373  -20.2944
            40  C8x C    11.8189  -18.2906
            41  C8x C    15.2207  -21.5993
            42  N4x N    12.9373  -21.5993
            43  C8x C    11.8189  -19.6420
            44  S4a S    30.3778  -16.8923
            45  C1a C    28.9779  -16.8923
            46  O1d O    31.7777  -16.8923
            47  O1d O    30.3778  -15.4924
            48  O1d O    30.3778  -18.2923
BOND        54
            1     1   5 1 #Down
            2     2   6 1
            3     2   7 1
            4     3   8 1
            5     3   9 1
            6     4  10 1
            7     6  11 1
            8     6  12 1 #Down
            9     7  13 2
            10    8  14 1
            11    9  15 1
            12   10  16 1
            13   10  17 1 #Up
            14   11  18 2
            15   12  19 1
            16   16  20 1
            17   19  21 2
            18   19  22 1
            19   23  20 1 #Up
            20   20  24 2
            21   21  25 1
            22   22  26 2
            23   23  27 1
            24   23  28 1
            25   25  29 2
            26   27  30 1
            27   28  31 1
            28   30  32 1
            29   30  33 1
            30   31  34 1
            31   32  35 1
            32   32  36 2
            33   33  37 1
            34   35  38 1
            35   35  39 2
            36   36  40 1
            37   38  41 2
            38   39  42 1
            39   39  43 1
            40    7  10 1
            41    8  11 1
            42   14  15 1
            43   26  29 1
            44   31  33 1
            45   37  38 1
            46   40  43 2
            47   41  42 1
            48    1   2 1
            49    1   3 1
            50    1   4 1
            51   44  45 1
            52   44  46 1
            53   44  47 2
            54   44  48 2

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