KEGG   DRUG: Mosapride
Entry
D08236                      Drug                                   
Name
Mosapride (INN);
Mosart (TN)
Formula
C21H25ClFN3O3
Exact mass
421.1568
Mol weight
421.8929
Structure
Simcomp
Class
Gastrointestinal agent
 DG01763  Propulsive
Metabolizing enzyme substrate
 DG01633  CYP3A/CYP3A4 substrate
  DG02913  CYP3A4 substrate
Remark
ATC code: A03FA09
Chemical structure group: DG01285
Product (DG01285): D01994<JP>
Efficacy
Prokinetic, Serotonin receptor agonist
Target
HTR4 [HSA:3360] [KO:K04160]
  Pathway
hsa04020  Calcium signaling pathway
hsa04080  Neuroactive ligand-receptor interaction
hsa04726  Serotonergic synapse
Metabolism
Enzyme: CYP3A4 [HSA:1576]
Interaction
Structure map
map07211  Serotonin receptor agonists/antagonists
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 A ALIMENTARY TRACT AND METABOLISM
  A03 DRUGS FOR FUNCTIONAL GASTROINTESTINAL DISORDERS
   A03F PROPULSIVES
    A03FA Propulsives
     A03FA09 Mosapride
      D08236  Mosapride (INN)
Drug groups [BR:br08330]
 Gastrointestinal agent
  DG01763  Propulsive
   DG01285  Mosapride
    D08236  Mosapride
 Metabolizing enzyme substrate
  DG01633  CYP3A/CYP3A4 substrate
   DG02913  CYP3A4 substrate
    DG01285  Mosapride
     D08236  Mosapride
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Serotonin
    HTR4
     D08236  Mosapride (INN)
Drug metabolizing enzymes and transporters [br08309.html]
 Drug metabolizing enzymes
  D08236
Drug groups [BR:br08330]
 Gastrointestinal agent
  DG01763  Propulsive
   DG01285  Mosapride
 Metabolizing enzyme substrate
  DG01633  CYP3A/CYP3A4 substrate
   DG02913  CYP3A4 substrate
    DG01285  Mosapride
Other DBs
CAS: 112885-41-3
PubChem: 96024924
ChEBI: 94373
LigandBox: D08236
NIKKAJI: J245.710E
KCF data

ATOM        29
            1   C8y C    11.3400  -16.1700
            2   C8y C    11.3400  -14.7700
            3   C8x C    12.6000  -14.0700
            4   C8y C    13.7900  -14.7700
            5   C8y C    13.7900  -16.1700
            6   C8x C    12.6000  -16.8700
            7   C5a C    14.9800  -16.8700
            8   N1b N    16.2400  -16.1700
            9   C1b C    17.4300  -16.8700
            10  C1y C    18.6200  -16.1700
            11  O2x O    18.6200  -14.7700
            12  C1x C    19.8800  -14.0700
            13  C1x C    21.0700  -14.7700
            14  N1y N    21.0700  -16.1700
            15  C1x C    19.8800  -16.8700
            16  O2a O    14.9800  -14.0700
            17  C1b C    16.2400  -14.7700
            18  C1a C    17.4300  -14.0700
            19  X   Cl   10.1500  -16.8700
            20  N1a N    10.1500  -14.0700
            21  O5a O    14.9800  -18.2700
            22  C1b C    22.2600  -16.8700
            23  C8y C    23.5200  -16.1700
            24  C8x C    23.5200  -14.7700
            25  C8x C    24.7100  -14.0700
            26  C8y C    25.9000  -14.7700
            27  C8x C    25.9000  -16.1700
            28  C8x C    24.7100  -16.8700
            29  X   F    27.1600  -14.0700
BOND        31
            1     1   2 2
            2     2   3 1
            3     3   4 2
            4     4   5 1
            5     5   6 2
            6     1   6 1
            7     5   7 1
            8     7   8 1
            9     8   9 1
            10    9  10 1
            11   10  11 1
            12   11  12 1
            13   12  13 1
            14   13  14 1
            15   14  15 1
            16   10  15 1
            17    4  16 1
            18   16  17 1
            19   17  18 1
            20    1  19 1
            21    2  20 1
            22    7  21 2
            23   14  22 1
            24   22  23 1
            25   23  24 2
            26   24  25 1
            27   25  26 2
            28   26  27 1
            29   27  28 2
            30   23  28 1
            31   26  29 1

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