KEGG   DRUG: Granisetron hydrochloride
Entry
D00677                      Drug                                   

Name
Granisetron hydrochloride (JAN/USP);
Kytril (TN)
Product
  Generic
Formula
C18H24N4O. HCl
Exact mass
348.1717
Mol weight
348.8703
Structure
Simcomp
Class
Gastrointestinal agent
 DG01762  Antiemetic
Other
 DG01489  5-HT3-receptor antagonist
Metabolizing enzyme substrate
 DG01891  CYP1A1 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)
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
Other DBs
CAS: 107007-99-8
PubChem: 7847743
ChEBI: 5538
DrugBank: DB00889
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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