KEGG   DRUG: Mosapride citrate hydrateHelp
Entry
D01994                      Drug                                   

Name
Mosapride citrate hydrate (JP17);
Mosapride citrate dihydrate;
Gasmotin (TN)
Formula
C21H25ClFN3O3. C6H8O7. 2H2O
Exact mass
649.205
Mol weight
650.047
Structure
Mol fileKCF fileDB searchJmolKegDraw
Simcomp SIMCOMP
Class
Gastrointestinal agent
 DG01763  Propulsive
Cyp substrate
 DG01633  CYP3A substrate
Remark
Same as: 
Therapeutic category: 
Chemical group: 
Efficacy
Prokinetic, Serotonin receptor agonist
Target
HTR4 [HSA:3360] [KO:K04160]
  Pathway
Calcium signaling pathway
Neuroactive ligand-receptor interaction
Serotonergic synapse
Metabolism
Enzyme: CYP3A4 [HSA:1576]
Interaction
Drug interaction
Structure map
Serotonin receptor agonists/antagonists
Brite
Therapeutic category of drugs in Japan [BR:br08301]
 2  Agents affecting individual organs
  23  Digestive organ agents
   239  Miscellaneous
    2399  Others
     D01994  Mosapride citrate hydrate (JP17)
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Serotonin
    5-HT4-receptor
     Mosapride
      D01994  Mosapride citrate hydrate (JP17)
Cytochrome P450 interactions [BR:br08309]
 CYP substrates
  CYP3A4
   Mosapride
    D01994  Mosapride citrate hydrate (JP17)
Drugs listed in the Japanese Pharmacopoeia [BR:br08311]
 Chemicals
  D01994  Mosapride citrate hydrate
  D01994  Mosapride citrate tablets
  D01994  Mosapride citrate powder
Gastrointestinal agents [br08371.html]
 Other gastrointestinal agents
  D01994
BRITE hierarchy
Other DBs
CAS: 
636582-62-2
PubChem: 
ChEBI: 
LigandBox: 
KCF data Show

ATOM        44
            1   C1d C    22.8158  -18.4544
            2   C1b C    21.6014  -19.1548
            3   C1b C    24.0300  -19.1548
            4   C6a C    23.5163  -17.2400
            5   O1a O    22.1152  -17.2400
            6   C6a C    20.3871  -18.5010
            7   C6a C    24.0300  -20.5560
            8   O6a O    22.8158  -16.0258
            9   O6a O    24.9173  -17.2400
            10  O6a O    19.1729  -19.2016
            11  O6a O    20.3871  -17.1000
            12  O6a O    25.2443  -21.2565
            13  O6a O    22.8158  -21.2565
            14  O0  O    14.7000  -18.8300
            15  C8y C    10.7100  -13.1600
            16  C8y C    10.7100  -11.7600
            17  C8x C    11.9700  -11.0600
            18  C8y C    13.1600  -11.7600
            19  C8y C    13.1600  -13.1600
            20  C8x C    11.9700  -13.8600
            21  C5a C    14.3500  -13.8600
            22  N1b N    15.6100  -13.1600
            23  C1b C    16.8000  -13.8600
            24  C1y C    17.9900  -13.1600
            25  O2x O    17.9900  -11.7600
            26  C1x C    19.2500  -11.0600
            27  C1x C    20.4400  -11.7600
            28  N1y N    20.4400  -13.1600
            29  C1x C    19.2500  -13.8600
            30  O2a O    14.3500  -11.0600
            31  C1b C    15.6100  -11.7600
            32  C1a C    16.8000  -11.0600
            33  X   Cl    9.5200  -13.8600
            34  N1a N     9.5200  -11.0600
            35  O5a O    14.3500  -15.2600
            36  C1b C    21.6300  -13.8600
            37  C8y C    22.8900  -13.1600
            38  C8x C    22.8900  -11.7600
            39  C8x C    24.0800  -11.0600
            40  C8y C    25.2700  -11.7600
            41  C8x C    25.2700  -13.1600
            42  C8x C    24.0800  -13.8600
            43  X   F    26.5300  -11.0600
            44  O0  O    14.7000  -18.8300
BOND        43
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     1   5 1
            5     2   6 1
            6     3   7 1
            7     4   8 1
            8     4   9 2
            9     6  10 1
            10    6  11 2
            11    7  12 1
            12    7  13 2
            13   15  16 2
            14   16  17 1
            15   17  18 2
            16   18  19 1
            17   19  20 2
            18   15  20 1
            19   19  21 1
            20   21  22 1
            21   22  23 1
            22   23  24 1
            23   24  25 1
            24   25  26 1
            25   26  27 1
            26   27  28 1
            27   28  29 1
            28   24  29 1
            29   18  30 1
            30   30  31 1
            31   31  32 1
            32   15  33 1
            33   16  34 1
            34   21  35 2
            35   28  36 1
            36   36  37 1
            37   37  38 2
            38   38  39 1
            39   39  40 2
            40   40  41 1
            41   41  42 2
            42   37  42 1
            43   40  43 1
BRACKET     1    12.3200  -19.8800   12.3200  -17.8500
            1    15.4700  -17.8500   15.4700  -19.8800
            1  2
 ORIGINAL  1   14
 REPEAT    1   44

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