KEGG   DRUG: Azasetron hydrochloride
Entry
D01613                      Drug                                   
Name
Azasetron hydrochloride (JAN);
Serotone (TN)
Formula
C17H20ClN3O3. HCl
Exact mass
385.0960
Mol weight
386.27
Structure
Simcomp
Class
Gastrointestinal agent
 DG01489  5-HT3-receptor antagonist
 DG01762  Antiemetic
Remark
Chemical structure group: DG01521
Efficacy
Anti-emetic, Serotonin 5-HT3 receptor antagonist
Target
  Pathway
hsa04726  Serotonergic synapse
Interaction
Structure map
map07211  Serotonin receptor agonists/antagonists
Brite
Drug groups [BR:br08330]
 Gastrointestinal agent
  DG01489  5-HT3-receptor antagonist
   DG01521  Azasetron
    D01613  Azasetron hydrochloride
  DG01762  Antiemetic
   DG01521  Azasetron
    D01613  Azasetron hydrochloride
Target-based classification of drugs [BR:br08310]
 Ion channels
  Ligand-gated ion channels
   Serotonin
    HTR3
     D01613  Azasetron hydrochloride (JAN)
Drug groups [BR:br08330]
 Gastrointestinal agent
  DG01489  5-HT3-receptor antagonist
   DG01521  Azasetron
  DG01762  Antiemetic
   DG01521  Azasetron
Other DBs
CAS: 123040-16-4
PubChem: 7848676
ChEBI: 31246
LigandBox: D01613
NIKKAJI: J392.758J
LinkDB
KCF data

ATOM        25
            1   X   Cl   28.4703  -20.1965
            2   C1y C    20.3053  -18.2374
            3   N1b N    21.3698  -19.0891
            4   C5a C    22.5763  -19.0891
            5   C8y C    23.2151  -18.0245
            6   O5a O    23.2151  -20.2956
            7   C8y C    24.5635  -18.0245
            8   O2x O    25.2732  -19.3020
            9   C1x C    26.6926  -19.3020
            10  C5x C    27.4023  -18.0245
            11  N1y N    26.6926  -16.8180
            12  C8y C    25.2732  -16.8180
            13  C1x C    19.5956  -19.3020
            14  N1y N    18.1052  -18.3794
            15  C1x C    18.1052  -17.1729
            16  C1x C    16.6148  -19.2310
            17  C1y C    18.8859  -17.3858
            18  C1x C    18.8859  -16.3922
            19  C1x C    17.3245  -18.0955
            20  C8x C    24.5635  -15.5406
            21  C8y C    23.2151  -15.5406
            22  C8x C    22.5054  -16.7471
            23  X   Cl   22.5054  -14.2631
            24  O5x O    28.8217  -18.0245
            25  C1a C    27.3898  -15.5992
BOND        27
            1     2   3 1
            2     3   4 1
            3     4   5 1
            4     4   6 2
            5     5   7 1
            6     7   8 1
            7     8   9 1
            8     9  10 1
            9    10  11 1
            10   11  12 1
            11    7  12 2
            12   13  14 1
            13   13   2 1
            14   14  15 1
            15   14  16 1
            16    2  17 1
            17   15  18 1
            18   16  19 1
            19   17  18 1
            20   17  19 1
            21   12  20 1
            22   20  21 2
            23   21  22 1
            24    5  22 2
            25   21  23 1
            26   10  24 2
            27   11  25 1

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