KEGG   DRUG: Palonosetron hydrochlorideHelp
Entry
D05343                      Drug                                   

Name
Palonosetron hydrochloride (JAN/USAN);
Aloxi (TN)
Product
  Generic
Formula
C19H24N2O. HCl
Exact mass
332.1655
Mol weight
332.8676
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Class
Gastrointestinal agent
 DG01762  Antiemetic
Other
 DG01489  5-HT3-receptor antagonist
Enzyme substrate
 DG01892  CYP1A2 substrate
 DG01644  CYP2D6 substrate
 DG01633  CYP3A substrate
Remark
Therapeutic category: 2391
ATC code: A04AA05
Chemical structure group: DG00064
Product (DG00064): D05343<JP/US>
Product (mixture): D10572<US>
Efficacy
Anti-emetic, Serotonin 5-HT3 receptor antagonist
Target
  Pathway
hsa04726  Serotonergic synapse
Metabolism
Enzyme: CYP1A2 [HSA:1544], CYP2D6 [HSA:1565], CYP3A4 [HSA:1576]
Interaction
Drug interaction
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
     A04AA05 Palonosetron
      D05343  Palonosetron hydrochloride (JAN/USAN) <JP/US>
USP drug classification [BR:br08302]
 Antiemetics
  Emetogenic Therapy Adjuncts
   Palonosetron
    D05343  Palonosetron hydrochloride (JAN/USAN)
Therapeutic category of drugs in Japan [BR:br08301]
 2  Agents affecting individual organs
  23  Digestive organ agents
   239  Miscellaneous
    2391  Antiemetics
     D05343  Palonosetron hydrochloride (JAN/USAN)
Target-based classification of drugs [BR:br08310]
 Ion channels
  Ligand-gated ion channels
   Serotonin
    HTR3
     D05343  Palonosetron hydrochloride (JAN/USAN) <JP/US>
Drug classes of therapeutic agents [br08360.html]
 Gastrointestinal agents
  D05343
New drug approvals in the USA [br08319.html]
 New Molecular Entity and New Therapeutic Biological Product Approvals
  D05343
New drug approvals in Europe [br08329.html]
 European public assessment reports (EPAR) authorised medicine
  D05343
New drug approvals in Japan [br08318.html]
 Drugs with new active ingredients
  D05343
New drug approvals in the USA, Europe and Japan [br08328.html]
 Approval dates by FDA, EMA and PMDA
  D05343
Pharmacogenomic biomarkers [br08341.html]
 Polymorphisms and germline mutations
  D05343
BRITE hierarchy
Other DBs
CAS: 135729-62-3
PubChem: 47207029
ChEBI: 85157
ChEMBL: CHEMBL1720
LigandBox: D05343
LinkDB All DBs
KCF data Show

ATOM        23
            1   N1y N    31.1604  -19.2289
            2   C5x C    32.5639  -19.2289
            3   C8y C    33.2656  -18.0359
            4   C8y C    32.5639  -16.8429
            5   C1y C    31.1604  -16.8427
            6   C1x C    30.4586  -17.9657
            7   C8y C    33.2656  -15.6499
            8   C1x C    32.5639  -14.3868
            9   C1x C    31.2306  -14.3868
            10  C1x C    30.5288  -15.5798
            11  C8x C    34.6691  -18.0359
            12  C8x C    35.3709  -16.8429
            13  C8x C    34.6691  -15.6499
            14  O5x O    33.2656  -20.4218
            15  C1y C    29.6867  -18.6675
            16  C1x C    29.0551  -19.6499
            17  N1y N    27.5814  -18.8078
            18  C1x C    27.5814  -17.5447
            19  C1x C    26.0376  -19.5797
            20  C1y C    28.3534  -17.7552
            21  C1x C    28.3534  -16.7727
            22  C1x C    26.7393  -18.4569
            23  X   Cl   37.2656  -18.5271
BOND        26
            1     1   2 1
            2     2   3 1
            3     3   4 2
            4     4   5 1
            5     5   6 1
            6     1   6 1
            7     4   7 1
            8     7   8 1
            9     8   9 1
            10    9  10 1
            11    5  10 1
            12    3  11 1
            13   11  12 2
            14   12  13 1
            15   13   7 2
            16    2  14 2
            17   16  17 1
            18   16  15 1
            19   17  18 1
            20   17  19 1
            21   15  20 1
            22   18  21 1
            23   19  22 1
            24   20  21 1
            25   20  22 1
            26   15   1 1 #Down

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