KEGG   DRUG: D08838Help
Entry
D08838                      Drug                                   

Name
Acotiamide hydrochloride hydrate (JAN);
Acotiamide hydrochloride (USAN)
Formula
C21H30N4O5S. 3H2O. HCl
Exact mass
540.2021
Mol weight
541.0585
Structure
Mol fileKCF fileDB searchJmolKegDraw
Activity
Functional dyspepsia
Remark
Therapeutic category: 
Target
acetylcholinesterase inhibitor [HSA:43] [KO:K01049];
muscarinic cholinergic receptor M1 antagonist [HSA:1128] [KO:K04129]
  Pathway
hsa00564  Glycerophospholipid metabolism
hsa04080  Neuroactive ligand-receptor interaction
hsa04725  Cholinergic synapse  
 
Interaction
Drug interaction
Brite
Therapeutic category of drugs in Japan [BR:br08301]
 2  Agents affecting individual organs
  23  Digestive organ agents
   239  Miscellaneous
    2399  Others
     D08838  Acotiamide hydrochloride hydrate (JAN); Acotiamide hydrochloride (USAN)
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Acetylcholine (muscarinic)
    muscarinic cholinergic receptor M1 [HSA:1128] [KO:K04129]
     Acotiamide
      D08838  Acotiamide hydrochloride hydrate (JAN); Acotiamide hydrochloride (USAN)
 Enzymes
  Hydrolases
   acetylcholinesterase (AChE) [HSA:43] [KO:K01049]
    Acotiamide
     D08838  Acotiamide hydrochloride hydrate (JAN); Acotiamide hydrochloride (USAN)
BRITE hierarchy
Other DBs
CAS: 
773092-05-0
PubChem: 
LigandBox: 
KCF data Show

ATOM        35
            1   C8y C    26.4600  -16.9400
            2   N1b N    27.8600  -16.9400
            3   S2x S    25.6200  -15.8200
            4   C8x C    24.2900  -16.2400
            5   C8y C    24.2900  -17.6400
            6   N5x N    25.6200  -18.0600
            7   C5a C    28.5600  -15.7500
            8   C8y C    29.9600  -15.7500
            9   C8x C    30.6600  -16.9400
            10  C8y C    32.0600  -16.9400
            11  C8y C    32.7600  -15.7500
            12  C8x C    32.0600  -14.5600
            13  C8y C    30.6600  -14.5600
            14  C5a C    23.1000  -18.3400
            15  N1b N    21.9100  -17.6400
            16  C1b C    20.6500  -18.3400
            17  C1b C    19.4600  -17.6400
            18  N1c N    18.2700  -18.3400
            19  C1c C    17.0100  -17.6400
            20  C1a C    15.8200  -18.3400
            21  O5a O    23.1000  -19.7400
            22  C1c C    18.2700  -19.7400
            23  C1a C    17.0100  -20.4400
            24  C1a C    19.4600  -20.4400
            25  C1a C    17.0100  -16.2400
            26  O5a O    27.8600  -14.5600
            27  O1a O    29.9600  -13.3000
            28  O2a O    34.1600  -15.7500
            29  O2a O    32.7600  -18.2000
            30  C1a C    32.0600  -19.3900
            31  C1a C    34.8600  -14.5600
            32  X   Cl   25.4100  -22.5400
            33  O0  O    25.5500  -24.5000
            34  O0  O    25.5500  -24.5000
            35  O0  O    25.5500  -24.5000
BOND        32
            1     1   2 1
            2     1   3 1
            3     3   4 1
            4     4   5 2
            5     5   6 1
            6     1   6 2
            7     2   7 1
            8     7   8 1
            9     8   9 2
            10    9  10 1
            11   10  11 2
            12   11  12 1
            13   12  13 2
            14    8  13 1
            15    5  14 1
            16   14  15 1
            17   15  16 1
            18   16  17 1
            19   17  18 1
            20   18  19 1
            21   19  20 1
            22   14  21 2
            23   18  22 1
            24   22  23 1
            25   22  24 1
            26   19  25 1
            27    7  26 2
            28   13  27 1
            29   11  28 1
            30   10  29 1
            31   29  30 1
            32   28  31 1
BRACKET     1    23.5900  -25.3400   23.5900  -23.6600
            1    26.4600  -23.6600   26.4600  -25.3400
            1  3
 ORIGINAL  1   33
 REPEAT    1   34  35

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