KEGG   DRUG: D01973Help
Entry
D01973                      Drug                                   

Name
Eletriptan hydrobromide (JAN/USAN);
Relpax (TN)
Product
Formula
C22H26N2O2S. HBr
Exact mass
462.0977
Mol weight
463.431
Structure
Mol fileKCF fileDB searchJmolKegDraw
Activity
Antimigraine [5HT1D-serotonin receptor agonist]
Remark
Therapeutic category: 
ATC code: 
Drug group: 
Comment
Triptans
Target
5-HT1B-receptor agonist [HSA:3351] [KO:K04153];
5-HT1D-receptor agonist [HSA:3352] [KO:K04153]
  Pathway
hsa04080  Neuroactive ligand-receptor interaction
hsa04726  Serotonergic synapse  
 
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
    N02CC Selective serotonin (5HT1) agonists
     N02CC06 Eletriptan
      D01973  Eletriptan hydrobromide (JAN/USAN)
USP drug classification [BR:br08302]
 Antimigraine Agents
  Serotonin (5-HT) 1b/1d Receptor Agonists
   Eletriptan
    D01973  Eletriptan hydrobromide (JAN/USAN)
Therapeutic category of drugs in Japan [BR:br08301]
 2  Agents affecting individual organs
  21  Cardiovascular agents
   216  Vasoconstrictors
    2160  Vasoconstrictors
     D01973  Eletriptan hydrobromide (JAN/USAN)
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Serotonin
    5-HT1B-receptor
     Eletriptan
      D01973  Eletriptan hydrobromide (JAN/USAN)
    5-HT1D-receptor
     Eletriptan
      D01973  Eletriptan hydrobromide (JAN/USAN)
Cytochrome P450 interactions [BR:br08309]
 Substrates
  CYP3A
   Eletriptan
    D01973  Eletriptan hydrobromide (JAN/USAN)
BRITE hierarchy
Other DBs
CAS: 
177834-92-3
PubChem: 
DrugBank: 
LigandBox: 
NIKKAJI: 
KCF data Show

ATOM        28
            1   X   Br   24.7100  -15.8900
            2   C1y C    22.4224  -12.6000
            3   N1y N    22.4224  -11.2000
            4   C1a C    21.1933  -10.4902
            5   C1x C    23.7539  -13.0326
            6   C1x C    24.5768  -11.9000
            7   C1x C    23.7539  -10.7674
            8   C8x C    17.4300  -16.5200
            9   C8y C    17.4300  -15.1200
            10  C8x C    18.6900  -14.4200
            11  C8y C    19.8800  -15.1200
            12  C8y C    19.8800  -16.5200
            13  C8x C    18.6900  -17.2200
            14  C8y C    21.2100  -14.7000
            15  C8x C    22.0500  -15.8200
            16  N4x N    21.2100  -16.9400
            17  C1b C    16.2400  -14.4200
            18  C1b C    15.0500  -15.1200
            19  S4a S    13.8600  -14.4200
            20  C8y C    12.6000  -15.1200
            21  C8x C    12.6000  -16.5200
            22  C8x C    11.4100  -17.2200
            23  C8x C    10.2200  -16.5200
            24  C8x C    10.2200  -15.1200
            25  C8x C    11.4100  -14.4200
            26  C1b C    21.2100  -13.3000
            27  O3c O    14.8499  -13.4301
            28  O3c O    12.8701  -13.4301
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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