KEGG   DRUG: DolasetronHelp
Entry
D07867                      Drug                                   

Name
Dolasetron (INN)
Formula
C19H20N2O3
Exact mass
324.1474
Mol weight
324.3737
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Class
Gastrointestinal agent
 DG01762  Antiemetic
Other
 DG01489  5-HT3-receptor antagonist
Enzyme substrate
 DG01644  CYP2D6 substrate
Remark
Same as: C07866
ATC code: A04AA04
Chemical structure group: DG00063
Product (DG00063): D00725<US>
Efficacy
Anti-emetic, Antimigraine, Serotonin 5-HT3 receptor antagonist
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
      D07867  Dolasetron (INN)
USP drug classification [BR:br08302]
 Antiemetics
  Emetogenic Therapy Adjuncts
   Dolasetron
    D07867  Dolasetron (INN)
Target-based classification of drugs [BR:br08310]
 Ion channels
  Ligand-gated ion channels
   Serotonin
    HTR3
     D07867  Dolasetron (INN)
BRITE hierarchy
Other DBs
CAS: 115956-12-2
PubChem: 96024563
ChEBI: 4682
ChEMBL: CHEMBL1237118 CHEMBL124754 CHEMBL2368925
DrugBank: DB00757
LigandBox: D07867
NIKKAJI: J332.097I
LinkDB All DBs
KCF data Show

ATOM        24
            1   O7a O    24.2200  -19.5300
            2   C1y C    23.2400  -18.9700
            3   C7a C    25.6900  -19.5300
            4   C8y C    26.3900  -18.4100
            5   O6a O    26.3900  -20.7900
            6   C8y C    27.7200  -18.3400
            7   C8y C    28.0000  -16.9400
            8   N4x N    26.8800  -16.3100
            9   C8x C    25.8300  -17.1500
            10  C8x C    28.6300  -19.2500
            11  C8x C    29.9600  -18.8300
            12  C8x C    30.2400  -17.5000
            13  C8x C    29.2600  -16.5900
            14  C1y C    21.1400  -18.3400
            15  N1y N    21.6300  -15.7500
            16  C1x C    20.3000  -18.9700
            17  C1x C    22.3300  -18.3400
            18  C1y C    21.6300  -17.0800
            19  C1x C    20.4400  -15.0500
            20  C1y C    19.2500  -17.0800
            21  C1x C    20.4400  -17.7800
            22  C1x C    22.8200  -17.7800
            23  C5x C    19.2500  -15.7500
            24  O5x O    18.0600  -15.0500
BOND        28
            1     2   1 1
            2     1   3 1
            3     3   4 1
            4     3   5 2
            5     4   6 1
            6     6   7 1
            7     7   8 1
            8     8   9 1
            9     4   9 2
            10    6  10 2
            11   10  11 1
            12   11  12 2
            13   12  13 1
            14    7  13 2
            15   14  15 1
            16   14  16 1
            17   14  17 1
            18   15  18 1
            19   15  19 1
            20   16  20 1
            21   17   2 1
            22   18  21 1
            23   18  22 1
            24   19  23 1
            25   23  24 2
            26   20  21 1
            27   20  23 1
            28    2  22 1

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