KEGG   DRUG: Rizatriptan sulfate
Entry
D05740                      Drug                                   
Name
Rizatriptan sulfate (USAN)
Formula
(C15H19N5)2. H2SO4. H2O
Exact mass
654.306
Mol weight
654.7835
Structure
Class
Analgesic
 DG01484  5-HT1B-receptor agonist
 DG01485  5-HT1D-receptor agonist
 DG01518  5-HT1B/1D-receptor agonist
 DG01943  Triptan
Remark
ATC code: N02CC04
Chemical structure group: DG00838
Product (DG00838): D00675<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
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
     N02CC04 Rizatriptan
      D05740  Rizatriptan sulfate (USAN)
Drug groups [BR:br08330]
 Analgesic
  DG01484  5-HT1B-receptor agonist
   DG00838  Rizatriptan
    D05740  Rizatriptan sulfate
  DG01485  5-HT1D-receptor agonist
   DG00838  Rizatriptan
    D05740  Rizatriptan sulfate
  DG01518  5-HT1B/1D-receptor agonist
   DG00838  Rizatriptan
    D05740  Rizatriptan sulfate
  DG01943  Triptan
   DG00838  Rizatriptan
    D05740  Rizatriptan sulfate
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Serotonin
    HTR1B
     D05740  Rizatriptan sulfate (USAN)
    HTR1D
     D05740  Rizatriptan sulfate (USAN)
Drug groups [BR:br08330]
 Analgesic
  DG01484  5-HT1B-receptor agonist
   DG00838  Rizatriptan
  DG01485  5-HT1D-receptor agonist
   DG00838  Rizatriptan
  DG01518  5-HT1B/1D-receptor agonist
   DG00838  Rizatriptan
  DG01943  Triptan
   DG00838  Rizatriptan
Other DBs
CAS: 159776-67-7
PubChem: 47207401
LigandBox: D05740
LinkDB
KCF data

ATOM        46
            1   S4a S    30.4731  -16.0606
            2   O1d O    30.4731  -14.6614
            3   O1d O    30.4731  -17.4598
            4   O1d O    29.0737  -16.0606
            5   O1d O    31.8722  -16.0606
            6   O0  O    31.0800  -19.1800
            7   C8y C    20.3700  -17.2200
            8   C8y C    20.3700  -18.6200
            9   C8y C    21.7000  -16.8000
            10  C8x C    19.1100  -16.5200
            11  N4x N    21.7000  -19.0400
            12  C8x C    19.1100  -19.3200
            13  C8x C    22.4700  -17.9200
            14  C8y C    17.9200  -17.2200
            15  C8x C    17.9200  -18.6200
            16  C1b C    16.7300  -16.5200
            17  N4y N    15.5400  -17.2200
            18  N5x N    15.5400  -18.6200
            19  C8x C    14.2100  -16.8000
            20  N5x N    13.3700  -17.9200
            21  C8x C    14.2100  -19.0400
            22  C1b C    21.7000  -15.4000
            23  C1b C    22.8900  -14.7000
            24  N1c N    24.0800  -15.4000
            25  C1a C    25.2700  -14.7000
            26  C1a C    24.0800  -16.8000
            27  C8y C    20.3700  -17.2200
            28  C8y C    20.3700  -18.6200
            29  N4x N    21.7000  -19.0400
            30  C8x C    22.4700  -17.9200
            31  C8y C    21.7000  -16.8000
            32  C1b C    21.7000  -15.4000
            33  C1b C    22.8900  -14.7000
            34  N1c N    24.0800  -15.4000
            35  C1a C    25.2700  -14.7000
            36  C1a C    24.0800  -16.8000
            37  C8x C    19.1100  -19.3200
            38  C8x C    17.9200  -18.6200
            39  C8y C    17.9200  -17.2200
            40  C8x C    19.1100  -16.5200
            41  C1b C    16.7300  -16.5200
            42  N4y N    15.5400  -17.2200
            43  N5x N    15.5400  -18.6200
            44  C8x C    14.2100  -19.0400
            45  N5x N    13.3700  -17.9200
            46  C8x C    14.2100  -16.8000
BOND        48
            1     1   2 2
            2     1   3 2
            3     1   4 1
            4     1   5 1
            5     7   8 1
            6     7   9 1
            7     7  10 2
            8     8  11 1
            9     8  12 2
            10    9  13 2
            11   10  14 1
            12   12  15 1
            13   11  13 1
            14   14  15 2
            15   14  16 1
            16   16  17 1
            17   17  18 1
            18   17  19 1
            19   19  20 2
            20   20  21 1
            21   18  21 2
            22    9  22 1
            23   22  23 1
            24   23  24 1
            25   24  25 1
            26   24  26 1
            27   27  28 1
            28   27  31 1
            29   27  40 2
            30   28  29 1
            31   28  37 2
            32   31  30 2
            33   40  39 1
            34   37  38 1
            35   29  30 1
            36   39  38 2
            37   39  41 1
            38   41  42 1
            39   42  43 1
            40   42  46 1
            41   46  45 2
            42   45  44 1
            43   43  44 2
            44   31  32 1
            45   32  33 1
            46   33  34 1
            47   34  35 1
            48   34  36 1
BRACKET     1    12.7400  -20.4400   12.7400  -13.7900
            1    26.8800  -13.7900   26.8800  -20.4400
            1  2
 ORIGINAL  1    7   8  11  13   9  22  23  24  25  26  12  15  14  10  16  17
            1   18  21  20  19
 REPEAT    1   27  28  29  30  31  32  33  34  35  36  37  38  39  40  41  42
            1   43  44  45  46

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