KEGG   DRUG: Mirisetron maleateHelp
Entry
D05050                      Drug                                   

Name
Mirisetron maleate (USAN)
Formula
C24H31N3O2. C4H4O4
Exact mass
509.2526
Mol weight
509.594
Structure
Mol fileKCF fileDB search
Efficacy
Antianxiety
Target
  Pathway
hsa04726  Serotonergic synapse
Brite
Target-based classification of drugs [BR:br08310]
 Ion channels
  Ligand-gated ion channels
   Serotonin
    HTR3
     D05050  Mirisetron maleate (USAN)
BRITE hierarchy
Other DBs
CAS: 148611-75-0
PubChem: 47206777
LigandBox: D05050
LinkDB All DBs
KCF data Show

ATOM        37
            1   C1x C    31.6366  -26.1449
            2   C1x C    30.9978  -27.2398
            3   C1y C    32.5491  -25.8254
            4   C1y C    32.2753  -26.7379
            5   N1y N    31.5911  -24.8215
            6   C1x C    34.0094  -25.8254
            7   C1x C    33.9637  -26.7379
            8   C1y C    35.2412  -27.3310
            9   N1b N    36.2908  -28.1067
            10  C5a C    37.5683  -28.1067
            11  O5a O    38.2070  -29.2018
            12  C8y C    38.2070  -26.9661
            13  C8x C    39.5538  -26.9477
            14  N4y N    40.2220  -25.7565
            15  C8y C    39.5234  -24.5818
            16  C8y C    38.1766  -24.5991
            17  C8y C    37.5084  -25.7913
            18  C1y C    41.6041  -25.7914
            19  O5x O    36.1385  -25.7401
            20  C1x C    42.2456  -27.0388
            21  C1x C    43.6120  -27.0026
            22  C1x C    44.3243  -25.8362
            23  C1x C    43.6826  -24.5904
            24  C1x C    42.3164  -24.5552
            25  C8x C    40.1916  -23.3895
            26  C8x C    39.4931  -22.2147
            27  C8x C    38.1462  -22.1625
            28  C8x C    37.4781  -23.4243
            29  C1a C    30.8577  -23.6315
            30  C2b C    50.4987  -24.9603
            31  C2b C    48.6935  -24.9603
            32  C6a C    48.0686  -26.1407
            33  C6a C    51.1235  -26.1407
            34  O6a O    48.6935  -27.3210
            35  O6a O    50.4987  -27.3210
            36  O6a O    52.5121  -26.1407
            37  O6a O    46.7494  -26.1407
BOND        40
            1     3   6 1
            2     4   7 1
            3     9  10 1
            4     6   8 1
            5    10  11 2
            6     8   9 1
            7    10  12 1
            8     4   5 1
            9     7   8 1
            10    1   2 1
            11    1   3 1
            12    2   4 1
            13    3   5 1
            14   12  13 2
            15   13  14 1
            16   14  15 1
            17   15  16 2
            18   16  17 1
            19   12  17 1
            20   14  18 1
            21   17  19 2
            22   18  20 1
            23   20  21 1
            24   21  22 1
            25   22  23 1
            26   23  24 1
            27   18  24 1
            28   15  25 1
            29   25  26 2
            30   26  27 1
            31   27  28 2
            32   16  28 1
            33    5  29 1
            34   30  31 2
            35   31  32 1
            36   30  33 1
            37   32  34 2
            38   33  35 1
            39   33  36 2
            40   32  37 1

» Japanese version   » Back

DBGET integrated database retrieval system