KEGG   DRUG: Eletriptan hydrobromide monohydrateHelp
Entry
D11617                      Drug                                   

Name
Eletriptan hydrobromide monohydrate
Product
  Generic
Formula
C22H26N2O2S. HBr. H2O
Exact mass
480.1082
Mol weight
481.4463
Structure
Mol fileKCF fileDB search
Remark
Chemical structure group: DG00840
Product (DG00840): D01973<JP/US> D11617<US>
Efficacy
Antimigraine, Vasoconstrictor, Serotonin receptor agonist
Comment
Acute treatment of migraine
Target
HTR1B [HSA:3351] [KO:K04153]
HTR1D [HSA:3352] [KO:K04153]
  Pathway
hsa04080  Neuroactive ligand-receptor interaction
hsa04726  Serotonergic synapse
Interaction
Drug interaction
Brite
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Serotonin
    HTR1B
     D11617  Eletriptan hydrobromide monohydrate <US>
    HTR1D
     D11617  Eletriptan hydrobromide monohydrate <US>
BRITE hierarchy
Other DBs
CAS: 273211-28-2
KCF data Show

ATOM        29
            1   X   Br   25.8908  -18.1727
            2   C1y C    23.6456  -14.9450
            3   N1y N    23.6456  -13.5417
            4   C1a C    22.3826  -12.8401
            5   C1x C    24.9787  -15.3660
            6   C1x C    25.7505  -14.2434
            7   C1x C    24.9787  -13.1207
            8   C8x C    18.5937  -18.8742
            9   C8y C    18.5937  -17.4709
            10  C8x C    19.8567  -16.7693
            11  C8y C    21.0495  -17.4709
            12  C8y C    21.0495  -18.8742
            13  C8x C    19.8567  -19.5759
            14  C8y C    22.3826  -17.0499
            15  C8x C    23.2246  -18.1726
            16  N4x N    22.3826  -19.2952
            17  C1b C    17.4009  -16.7693
            18  C1b C    16.2081  -17.4709
            19  S4a S    15.0153  -16.7693
            20  C8y C    13.7524  -17.4709
            21  C8x C    13.7524  -18.8742
            22  C8x C    12.5596  -19.5759
            23  C8x C    11.3668  -18.8742
            24  C8x C    11.3668  -17.4709
            25  C8x C    12.5596  -16.7693
            26  C1b C    22.3826  -15.6467
            27  O3c O    15.9976  -15.7870
            28  O3c O    14.0330  -15.7870
            29  O0  O    26.4600  -19.7400
BOND        30
            1     2   3 1
            2     3   4 1
            3     2   5 1
            4     5   6 1
            5     6   7 1
            6     3   7 1
            7     8   9 2
            8     9  10 1
            9    10  11 2
            10   11  12 1
            11   12  13 2
            12    8  13 1
            13   11  14 1
            14   14  15 2
            15   15  16 1
            16   12  16 1
            17    9  17 1
            18   17  18 1
            19   18  19 1
            20   19  20 1
            21   20  21 2
            22   21  22 1
            23   22  23 2
            24   23  24 1
            25   24  25 2
            26   20  25 1
            27   14  26 1
            28    2  26 1 #Down
            29   19  27 2
            30   19  28 2

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