KEGG   DRUG: Eletriptan hydrobromide monohydrate
Entry
D11617                      Drug                                   

Name
Eletriptan hydrobromide monohydrate
Product
  Generic
Formula
C22H26N2O2S. HBr. H2O
Exact mass
480.1082
Mol weight
481.4463
Structure
Remark
ATC code: N02CC06
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
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 N NERVOUS SYSTEM
  N02 ANALGESICS
   N02C ANTIMIGRAINE PREPARATIONS
    N02CC Selective serotonin (5HT1) agonists
     N02CC06 Eletriptan
      D11617  Eletriptan hydrobromide monohydrate <US>
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>
Other DBs
CAS: 273211-28-2
PubChem: 405226484
LinkDB
KCF data

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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