KEGG   DRUG: Granisetron
Entry
D04370                      Drug                                   
Name
Granisetron (JAN/USAN/INN);
Sancuso (TN)
Product
SANCUSO (Cumberland Pharmaceuticals)
Formula
C18H24N4O
Exact mass
312.1950
Mol weight
312.41
Structure
Simcomp
Class
Gastrointestinal agent
 DG01489  5-HT3-receptor antagonist
 DG01762  Antiemetic
Metabolizing enzyme substrate
 DG01891  CYP1A1 substrate
 DG01633  CYP3A/CYP3A4 substrate
  DG02913  CYP3A4 substrate
Remark
Same as: C07023
ATC code: A04AA02
Chemical structure group: DG00061
Product (DG00061): D04370<US> D00677<JP/US>
Efficacy
Anti-emetic, Serotonin 5-HT3 receptor antagonist
Target
HTR3B [HSA:9177] [KO:K04819]
  Pathway
hsa04726  Serotonergic synapse
Metabolism
Enzyme: CYP3A4 [HSA:1576], CYP1A1 [HSA:1543]
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
     A04AA02 Granisetron
      D04370  Granisetron (JAN/USAN/INN) <US>
USP drug classification [BR:br08302]
 Antiemetics
  Emetogenic Therapy Adjuncts
   Granisetron
    D04370  Granisetron (JAN/USAN/INN)
Drug groups [BR:br08330]
 Gastrointestinal agent
  DG01489  5-HT3-receptor antagonist
   DG00061  Granisetron
    D04370  Granisetron
  DG01762  Antiemetic
   DG00061  Granisetron
    D04370  Granisetron
 Metabolizing enzyme substrate
  DG01891  CYP1A1 substrate
   DG00061  Granisetron
    D04370  Granisetron
  DG01633  CYP3A/CYP3A4 substrate
   DG02913  CYP3A4 substrate
    DG00061  Granisetron
     D04370  Granisetron
Target-based classification of drugs [BR:br08310]
 Ion channels
  Ligand-gated ion channels
   Serotonin
    HTR3B
     D04370  Granisetron (JAN/USAN/INN) <US>
New drug approvals in Europe [br08329.html]
 European public assessment reports (EPAR) authorised medicine
  D04370
Drug metabolizing enzymes and transporters [br08309.html]
 Drug metabolizing enzymes
  D04370
Drug groups [BR:br08330]
 Gastrointestinal agent
  DG01489  5-HT3-receptor antagonist
   DG00061  Granisetron
  DG01762  Antiemetic
   DG00061  Granisetron
 Metabolizing enzyme substrate
  DG01891  CYP1A1 substrate
   DG00061  Granisetron
  DG01633  CYP3A/CYP3A4 substrate
   DG02913  CYP3A4 substrate
    DG00061  Granisetron
Other DBs
CAS: 109889-09-0
PubChem: 47206270
ChEBI: 5537
LigandBox: D04370
NIKKAJI: J258.427A
LinkDB
KCF data

ATOM        23
            1   C1x C    19.3438  -16.4308
            2   C1x C    19.4619  -15.4691
            3   C1y C    20.5155  -16.1496
            4   C1y C    20.8436  -14.9779
            5   N1y N    19.5782  -13.6656
            6   C1x C    22.3902  -16.1496
            7   C1x C    22.1090  -14.9779
            8   C1y C    23.4213  -16.7120
            9   N1b N    24.4993  -17.6025
            10  C5a C    25.7179  -17.6025
            11  C8y C    26.3272  -16.5245
            12  O5a O    26.3272  -18.7273
            13  C1a C    18.8291  -12.4814
            14  C1x C    18.2878  -14.9430
            15  C8y C    27.7272  -16.5245
            16  C8y C    28.1598  -15.1930
            17  N4y N    27.0272  -14.3701
            18  N5x N    25.8946  -15.1930
            19  C8x C    28.6640  -17.5649
            20  C8x C    30.0334  -17.2738
            21  C8x C    30.4660  -15.9423
            22  C8x C    29.5292  -14.9019
            23  C1a C    27.0273  -12.9500
BOND        26
            1     1   3 1
            2     2   4 1
            3     3   5 1
            4     3   6 1
            5     4   7 1
            6     6   8 1
            7     8   9 1
            8     9  10 1
            9    10  11 1
            10   10  12 2
            11    4   5 1
            12    7   8 1
            13    5  13 1
            14    2  14 1
            15    1  14 1
            16   11  15 1
            17   15  16 1
            18   16  17 1
            19   17  18 1
            20   11  18 2
            21   15  19 2
            22   19  20 1
            23   20  21 2
            24   21  22 1
            25   16  22 2
            26   17  23 1

» Japanese version   » Back

KEGG   DRUG: Granisetron hydrochloride
Entry
D00677                      Drug                                   
Name
Granisetron hydrochloride (JAN/USP);
Kytril (TN)
Product
  Generic
GRANISETRON (Fresenius Kabi USA), GRANISETRON HYDROCHLORIDE (AuroMedics Pharma LLC), GRANISETRON HYDROCHLORIDE (Bionpharma), GRANISETRON HYDROCHLORIDE (Breckenridge Pharmaceutical), GRANISETRON HYDROCHLORIDE (Hikma Pharmaceuticals USA), GRANISETRON HYDROCHLORIDE (Mylan Institutional LLC), GRANISETRON HYDROCHLORIDE (Natco Pharma Limited)
Formula
C18H24N4O. HCl
Exact mass
348.1717
Mol weight
348.87
Structure
Simcomp
Class
Gastrointestinal agent
 DG01489  5-HT3-receptor antagonist
 DG01762  Antiemetic
Metabolizing enzyme substrate
 DG01891  CYP1A1 substrate
 DG01633  CYP3A/CYP3A4 substrate
  DG02913  CYP3A4 substrate
Remark
Therapeutic category: 2391
ATC code: A04AA02
Chemical structure group: DG00061
Product (DG00061): D04370<US> D00677<JP/US>
Efficacy
Anti-emetic, Serotonin 5-HT3 receptor antagonist
Target
HTR3B [HSA:9177] [KO:K04819]
  Pathway
hsa04726  Serotonergic synapse
Metabolism
Enzyme: CYP3A4 [HSA:1576], CYP1A1 [HSA:1543]
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
     A04AA02 Granisetron
      D00677  Granisetron hydrochloride (JAN/USP) <JP/US>
USP drug classification [BR:br08302]
 Antiemetics
  Emetogenic Therapy Adjuncts
   Granisetron
    D00677  Granisetron hydrochloride (JAN/USP)
Therapeutic category of drugs in Japan [BR:br08301]
 2  Agents affecting individual organs
  23  Digestive organ agents
   239  Miscellaneous
    2391  Antiemetics
     D00677  Granisetron hydrochloride (JAN/USP)
Drug groups [BR:br08330]
 Gastrointestinal agent
  DG01489  5-HT3-receptor antagonist
   DG00061  Granisetron
    D00677  Granisetron hydrochloride
  DG01762  Antiemetic
   DG00061  Granisetron
    D00677  Granisetron hydrochloride
 Metabolizing enzyme substrate
  DG01891  CYP1A1 substrate
   DG00061  Granisetron
    D00677  Granisetron hydrochloride
  DG01633  CYP3A/CYP3A4 substrate
   DG02913  CYP3A4 substrate
    DG00061  Granisetron
     D00677  Granisetron hydrochloride
Target-based classification of drugs [BR:br08310]
 Ion channels
  Ligand-gated ion channels
   Serotonin
    HTR3B
     D00677  Granisetron hydrochloride (JAN/USP) <JP/US>
Drug metabolizing enzymes and transporters [br08309.html]
 Drug metabolizing enzymes
  D00677
Drug groups [BR:br08330]
 Gastrointestinal agent
  DG01489  5-HT3-receptor antagonist
   DG00061  Granisetron
  DG01762  Antiemetic
   DG00061  Granisetron
 Metabolizing enzyme substrate
  DG01891  CYP1A1 substrate
   DG00061  Granisetron
  DG01633  CYP3A/CYP3A4 substrate
   DG02913  CYP3A4 substrate
    DG00061  Granisetron
Other DBs
CAS: 107007-99-8
PubChem: 7847743
ChEBI: 5538
LigandBox: D00677
NIKKAJI: J345.183F
LinkDB
KCF data

ATOM        24
            1   X   Cl   38.4938  -15.6255
            2   C1x C    25.8300  -15.8200
            3   C1x C    25.9700  -14.9100
            4   C1y C    26.9500  -15.5400
            5   C1y C    27.2300  -14.4200
            6   N1y N    26.0400  -13.1600
            7   C1x C    28.7000  -15.5400
            8   C1x C    28.4200  -14.4200
            9   C1y C    29.6800  -16.0300
            10  N1b N    30.7300  -16.9400
            11  C5a C    31.8500  -16.9400
            12  C8y C    32.4100  -15.8900
            13  O5a O    32.4100  -17.9900
            14  C1a C    25.3400  -12.0400
            15  C1x C    24.8500  -14.4200
            16  C8y C    33.7400  -15.8900
            17  C8y C    34.1600  -14.6300
            18  N4y N    33.1100  -13.8600
            19  N5x N    31.9900  -14.6300
            20  C8x C    34.6500  -16.8700
            21  C8x C    35.9100  -16.5900
            22  C8x C    36.3300  -15.3300
            23  C8x C    35.4200  -14.3500
            24  C1a C    33.1100  -12.5300
BOND        26
            1     2   4 1
            2     3   5 1
            3     4   6 1
            4     4   7 1
            5     5   8 1
            6     7   9 1
            7     9  10 1
            8    10  11 1
            9    11  12 1
            10   11  13 2
            11    5   6 1
            12    8   9 1
            13    6  14 1
            14    3  15 1
            15    2  15 1
            16   12  16 1
            17   16  17 1
            18   17  18 1
            19   18  19 1
            20   12  19 2
            21   16  20 2
            22   20  21 1
            23   21  22 2
            24   22  23 1
            25   17  23 2
            26   18  24 1

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