KEGG   DRUG: Tropisetron
Entry
D02130                      Drug                                   
Name
Tropisetron (INN);
Navoban (TN)
Formula
C17H20N2O2
Exact mass
284.1525
Mol weight
284.3529
Structure
Simcomp
Class
Gastrointestinal agent
 DG01489  5-HT3-receptor antagonist
 DG01762  Antiemetic
Remark
Same as: C13666
ATC code: A04AA03
Chemical structure group: DG00062
Efficacy
Anti-emetic, Serotonin 5-HT3 receptor antagonist
Target
  Pathway
hsa04726  Serotonergic synapse
Interaction
Structure map
map07211  Serotonin receptor agonists/antagonists
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 A ALIMENTARY TRACT AND METABOLISM
  A04 ANTIEMETICS AND ANTINAUSEANTS
   A04A ANTIEMETICS AND ANTINAUSEANTS
    A04AA Serotonin (5HT3) antagonists
     A04AA03 Tropisetron
      D02130  Tropisetron (INN)
Drug groups [BR:br08330]
 Gastrointestinal agent
  DG01489  5-HT3-receptor antagonist
   DG00062  Tropisetron
    D02130  Tropisetron
  DG01762  Antiemetic
   DG00062  Tropisetron
    D02130  Tropisetron
Target-based classification of drugs [BR:br08310]
 Ion channels
  Ligand-gated ion channels
   Serotonin
    HTR3
     D02130  Tropisetron (INN)
Drug groups [BR:br08330]
 Gastrointestinal agent
  DG01489  5-HT3-receptor antagonist
   DG00062  Tropisetron
  DG01762  Antiemetic
   DG00062  Tropisetron
Other DBs
CAS: 89565-68-4
PubChem: 7849191
ChEBI: 32269
PDB-CCD: TKT[PDBj]
LigandBox: D02130
NIKKAJI: J22.211I
KCF data

ATOM        21
            1   O7a O    32.6488  -10.2991
            2   C1y C    31.5372   -9.6321
            3   C1x C    30.5590   -8.1648
            4   C1x C    30.5590   -9.1875
            5   C1y C    29.1362   -8.1648
            6   C1y C    29.0472   -9.1875
            7   N1y N    28.2913   -7.2311
            8   C1x C    28.1135   -8.7428
            9   C1x C    27.5800   -9.8100
            10  C1a C    28.2963   -5.9092
            11  C7a C    34.0746  -10.2754
            12  C8y C    34.7959   -9.0483
            13  O6a O    34.7566  -11.5486
            14  C8y C    36.1753   -8.9956
            15  C8y C    36.4849   -7.6457
            16  N4x N    35.2968   -6.9342
            17  C8x C    34.2529   -7.8442
            18  C8x C    37.2030   -9.9512
            19  C8x C    38.5444   -9.5390
            20  C8x C    38.8540   -8.1891
            21  C8x C    37.8264   -7.2336
BOND        24
            1     2   4 1
            2     3   5 1
            3     4   6 1
            4     5   7 1
            5     5   8 1
            6     6   9 1
            7     6   7 1
            8     8   9 1
            9     2   1 1 #Down
            10    2   3 1
            11    7  10 1
            12    1  11 1
            13   11  12 1
            14   11  13 2
            15   12  14 1
            16   14  15 1
            17   15  16 1
            18   16  17 1
            19   12  17 2
            20   14  18 2
            21   18  19 1
            22   19  20 2
            23   20  21 1
            24   15  21 2

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