KEGG   DRUG: PalonosetronHelp
Entry
D07175                      Drug                                   

Name
Palonosetron (INN);
Aloxi (TN)
Formula
C19H24N2O
Exact mass
296.1889
Mol weight
296.4067
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
ATC code: A04AA05
Chemical structure group: DG00064
Product (DG00064): D05343<JP/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
      D07175  Palonosetron (INN)
USP drug classification [BR:br08302]
 Antiemetics
  Emetogenic Therapy Adjuncts
   Palonosetron
    D07175  Palonosetron (INN)
Target-based classification of drugs [BR:br08310]
 Ion channels
  Ligand-gated ion channels
   Serotonin
    HTR3
     D07175  Palonosetron (INN)
New drug approvals in Europe [br08329.html]
 European public assessment reports (EPAR) authorised medicine
  D07175
BRITE hierarchy
Other DBs
CAS: 135729-61-2
PubChem: 96024423
ChEBI: 85161
ChEMBL: CHEMBL1189679
DrugBank: DB00377
LigandBox: D07175
LinkDB All DBs
KCF data Show

ATOM        22
            1   N1y N    24.6400  -19.7400
            2   C5x C    26.0400  -19.7400
            3   C8y C    26.7400  -18.5500
            4   C8y C    26.0400  -17.3600
            5   C1y C    24.6400  -17.3600
            6   C1x C    23.9400  -18.4800
            7   C8y C    26.7400  -16.1700
            8   C1x C    26.0400  -14.9100
            9   C1x C    24.7100  -14.9100
            10  C1x C    24.0100  -16.1000
            11  C8x C    28.1400  -18.5500
            12  C8x C    28.8400  -17.3600
            13  C8x C    28.1400  -16.1700
            14  O5x O    26.7400  -20.9300
            15  C1y C    23.1700  -19.1800
            16  C1x C    22.5400  -20.1600
            17  N1y N    21.0700  -19.3200
            18  C1x C    21.0700  -18.0600
            19  C1x C    19.5300  -20.0900
            20  C1y C    21.8400  -18.2700
            21  C1x C    21.8400  -17.2900
            22  C1x C    20.2300  -18.9700
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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