KEGG   DRUG: EletriptanHelp
Entry
D07887                      Drug                                   

Name
Eletriptan (INN)
Formula
C22H26N2O2S
Exact mass
382.1715
Mol weight
382.519
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Class
Analgesic
 DG01484  5-HT1B-receptor agonist
 DG01485  5-HT1D-receptor agonist
 DG01518  5-HT1B/1D-receptor agonist
 DG01943  Triptan
Remark
ATC code: N02CC06
Chemical structure group: DG00840
Product (DG00840): D01973<JP/US>
Efficacy
Antimigraine, Vasoconstrictor, Serotonin receptor agonist
Comment
Sumatriptan derivative
Target
HTR1B [HSA:3351] [KO:K04153]
HTR1D [HSA:3352] [KO:K04153]
  Pathway
hsa04080  Neuroactive ligand-receptor interaction
hsa04726  Serotonergic synapse
Metabolism
Enzyme: CYP3A4 [HSA:1576]
Interaction
Drug interaction
Structure map
map07048  Antimigraines
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 N NERVOUS SYSTEM
  N02 ANALGESICS
   N02C ANTIMIGRAINE PREPARATIONS
    N02CC Selective serotonin (5HT1) agonists
     N02CC06 Eletriptan
      D07887  Eletriptan (INN)
USP drug classification [BR:br08302]
 Antimigraine Agents
  Serotonin (5-HT) 1b/1d Receptor Agonists
   Eletriptan
    D07887  Eletriptan (INN)
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Serotonin
    HTR1B
     D07887  Eletriptan (INN)
    HTR1D
     D07887  Eletriptan (INN)
BRITE hierarchy
Other DBs
CAS: 143322-58-1
PubChem: 96024583
ChEBI: 50922
ChEMBL: CHEMBL1510
DrugBank: DB00216
LigandBox: D07887
LinkDB All DBs
KCF data Show

ATOM        27
            1   C1y C    29.1900  -16.6600
            2   N1y N    29.1900  -15.2600
            3   C1a C    27.9300  -14.5600
            4   C1x C    30.5200  -17.0800
            5   C1x C    31.2900  -15.9600
            6   C1x C    30.5200  -14.8400
            7   C8x C    24.1500  -20.5800
            8   C8y C    24.1500  -19.1800
            9   C8x C    25.4100  -18.4800
            10  C8y C    26.6000  -19.1800
            11  C8y C    26.6000  -20.5800
            12  C8x C    25.4100  -21.2800
            13  C8y C    27.9300  -18.7600
            14  C8x C    28.7700  -19.8800
            15  N4x N    27.9300  -21.0000
            16  C1b C    22.9600  -18.4800
            17  C1b C    21.7700  -19.1800
            18  S4a S    20.5800  -18.4800
            19  C8y C    19.3200  -19.1800
            20  C8x C    19.3200  -20.5800
            21  C8x C    18.1300  -21.2800
            22  C8x C    16.9400  -20.5800
            23  C8x C    16.9400  -19.1800
            24  C8x C    18.1300  -18.4800
            25  C1b C    27.9300  -17.3600
            26  O3c O    21.5600  -17.5000
            27  O3c O    19.6000  -17.5000
BOND        30
            1     1   2 1
            2     2   3 1
            3     1   4 1
            4     4   5 1
            5     5   6 1
            6     2   6 1
            7     7   8 2
            8     8   9 1
            9     9  10 2
            10   10  11 1
            11   11  12 2
            12    7  12 1
            13   10  13 1
            14   13  14 2
            15   14  15 1
            16   11  15 1
            17    8  16 1
            18   16  17 1
            19   17  18 1
            20   18  19 1
            21   19  20 2
            22   20  21 1
            23   21  22 2
            24   22  23 1
            25   23  24 2
            26   19  24 1
            27   13  25 1
            28    1  25 1 #Down
            29   18  26 2
            30   18  27 2

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