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
HTR3 [HSA:3359 9177 170572 200909 285242] [KO:K04819]
  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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Ontology (3)   
   KEGG BRITE (3)   
Pathway (1)   
   KEGG PATHWAY (1)   
Drug (2)   
   KEGG DGROUP (1)   
   LigandBox (1)   
Chemical substance (5)   
   KEGG COMPOUND (1)   
   PubChem (1)   
   ChEBI (1)   
   NIKKAJI (1)   
   PDB-CCD (1)   
Gene (6)   
   KEGG ORTHOLOGY (1)   
   KEGG GENES (5)   
All databases (17)   

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KEGG   DRUG: Tropisetron hydrochloride
Entry
D02041                      Drug                                   
Name
Tropisetron hydrochloride (JAN);
Navoban (TN)
Formula
C17H20N2O2. HCl
Exact mass
320.1292
Mol weight
320.8138
Structure
Simcomp
Class
Gastrointestinal agent
 DG01489  5-HT3-receptor antagonist
 DG01762  Antiemetic
Remark
ATC code: A04AA03
Chemical structure group: DG00062
Efficacy
Anti-emetic, Serotonin 5-HT3 receptor antagonist
Target
HTR3 [HSA:3359 9177 170572 200909 285242] [KO:K04819]
  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
      D02041  Tropisetron hydrochloride (JAN)
Drug groups [BR:br08330]
 Gastrointestinal agent
  DG01489  5-HT3-receptor antagonist
   DG00062  Tropisetron
    D02041  Tropisetron hydrochloride
  DG01762  Antiemetic
   DG00062  Tropisetron
    D02041  Tropisetron hydrochloride
Target-based classification of drugs [BR:br08310]
 Ion channels
  Ligand-gated ion channels
   Serotonin
    HTR3
     D02041  Tropisetron hydrochloride (JAN)
Drug groups [BR:br08330]
 Gastrointestinal agent
  DG01489  5-HT3-receptor antagonist
   DG00062  Tropisetron
  DG01762  Antiemetic
   DG00062  Tropisetron
Other DBs
CAS: 105826-92-4
PubChem: 7849103
ChEBI: 77570
LigandBox: D02041
NIKKAJI: J2.209.017H
KCF data

ATOM        22
            1   X   Cl   38.5928  -17.3129
            2   O7a O    30.1000  -18.9700
            3   C1y C    28.9800  -18.3400
            4   C1x C    28.0000  -16.8700
            5   C1x C    28.0000  -17.8500
            6   C1y C    26.5300  -16.8700
            7   C1y C    26.4600  -17.8500
            8   N1y N    25.6900  -15.8900
            9   C1x C    25.5500  -17.4300
            10  C1x C    24.9900  -18.4800
            11  C1a C    25.6900  -14.5600
            12  C7a C    31.5000  -18.9700
            13  C8y C    32.2000  -17.7100
            14  O6a O    32.2000  -20.2300
            15  C8y C    33.6000  -17.7100
            16  C8y C    33.8800  -16.3100
            17  N4x N    32.6900  -15.6100
            18  C8x C    31.6400  -16.5200
            19  C8x C    34.6500  -18.6200
            20  C8x C    35.9800  -18.2000
            21  C8x C    36.2600  -16.8700
            22  C8x C    35.2800  -15.8900
BOND        24
            1     3   5 1
            2     4   6 1
            3     5   7 1
            4     6   8 1
            5     6   9 1
            6     7  10 1
            7     7   8 1
            8     9  10 1
            9     3   2 1 #Down
            10    3   4 1
            11    8  11 1
            12    2  12 1
            13   12  13 1
            14   12  14 2
            15   13  15 1
            16   15  16 1
            17   16  17 1
            18   17  18 1
            19   13  18 2
            20   15  19 2
            21   19  20 1
            22   20  21 2
            23   21  22 1
            24   16  22 2

» Japanese version   » Back

  All links  
Ontology (3)   
   KEGG BRITE (3)   
Pathway (1)   
   KEGG PATHWAY (1)   
Drug (2)   
   KEGG DGROUP (1)   
   LigandBox (1)   
Chemical substance (3)   
   PubChem (1)   
   ChEBI (1)   
   NIKKAJI (1)   
Gene (6)   
   KEGG ORTHOLOGY (1)   
   KEGG GENES (5)   
All databases (15)   

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