KEGG   DRUG: Dolasetron mesylateHelp
Entry
D00725                      Drug                                   

Name
Dolasetron mesylate (USP);
Anzemet (TN)
Product
Formula
C19H20N2O3. CH4SO3
Exact mass
420.1355
Mol weight
420.4794
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Class
Gastrointestinal agent
 DG01762  Antiemetic
Other
 DG01489  5-HT3-receptor antagonist
Metabolizing enzyme substrate
 DG01644  CYP2D6 substrate
 DG01633  CYP3A substrate
Remark
ATC code: A04AA04
Chemical structure group: DG00063
Product (DG00063): D00725<US>
Efficacy
Anti-emetic, Antimigraine, Serotonin 5-HT3 receptor antagonist
Comment
Prevention of nausea and vomiting associated with moderately emetogenic cancer chemotherapy
Target
  Pathway
hsa04726  Serotonergic synapse
Metabolism
Enzyme: CYP2D6 [HSA:1565], CYP3A [HSA:1576 1577 1551]
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
     A04AA04 Dolasetron
      D00725  Dolasetron mesylate (USP) <US>
USP drug classification [BR:br08302]
 Antiemetics
  Emetogenic Therapy Adjuncts
   Dolasetron
    D00725  Dolasetron mesylate (USP)
Target-based classification of drugs [BR:br08310]
 Ion channels
  Ligand-gated ion channels
   Serotonin
    HTR3
     D00725  Dolasetron mesylate (USP) <US>
BRITE hierarchy
Other DBs
CAS: 115956-13-3
PubChem: 7847790
ChEBI: 4683
ChEMBL: CHEMBL2373322
DrugBank: DB00757
LigandBox: D00725
LinkDB All DBs
KCF data Show

ATOM        29
            1   S4a S    24.8049  -14.6438
            2   C1a C    23.3948  -14.6321
            3   O1d O    26.2036  -14.6438
            4   O1d O    24.7932  -13.2394
            5   O1d O    24.7932  -16.0425
            6   O7a O    14.7328  -15.2219
            7   C1y C    13.7087  -14.6075
            8   C7a C    16.1665  -15.2219
            9   C8y C    16.8492  -14.0613
            10  O6a O    16.8492  -16.4508
            11  C8y C    18.2147  -13.9931
            12  C8y C    18.4877  -12.6277
            13  N4x N    17.3271  -11.9450
            14  C8x C    16.3030  -12.8325
            15  C8x C    19.1022  -14.8806
            16  C8x C    20.4676  -14.4709
            17  C8x C    20.7407  -13.1739
            18  C8x C    19.7166  -12.2180
            19  C1y C    11.5924  -13.9931
            20  N1y N    12.1385  -11.3988
            21  C1x C    10.7731  -14.6075
            22  C1x C    12.8212  -13.9931
            23  C1y C    12.1385  -12.7642
            24  C1x C    10.9097  -10.7161
            25  C1y C     9.7490  -12.7642
            26  C1x C    10.9097  -13.4469
            27  C1x C    13.2991  -13.4469
            28  C5x C     9.7490  -11.3988
            29  O5x O     8.5201  -10.7161
BOND        32
            1     1   2 1
            2     1   3 1
            3     1   4 2
            4     1   5 2
            5     7   6 1
            6     6   8 1
            7     8   9 1
            8     8  10 2
            9     9  11 1
            10   11  12 1
            11   12  13 1
            12   13  14 1
            13    9  14 2
            14   11  15 2
            15   15  16 1
            16   16  17 2
            17   17  18 1
            18   12  18 2
            19   19  20 1
            20   19  21 1
            21   19  22 1
            22   20  23 1
            23   20  24 1
            24   21  25 1
            25   22   7 1
            26   23  26 1
            27   23  27 1
            28   24  28 1
            29   28  29 2
            30   25  26 1
            31   25  28 1
            32    7  27 1

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