KEGG   DRUG: Acotiamide hydrochlorideHelp
Entry
D08838                      Drug                                   

Name
Acotiamide hydrochloride (USAN);
Acotiamide hydrochloride hydrate (JAN)
Formula
C21H30N4O5S. 3H2O. HCl
Exact mass
540.2021
Mol weight
541.0585
Structure
Mol fileKCF fileDB searchJmolKegDraw
Class
Neuropsychiatric agent
 DG01491  Muscarinic cholinergic receptor antagonist
 DG01595  Cholinesterase inhibitor
  DG01593  Acetylcholinesterase inhibitor
Cyp substrate
 DG01891  CYP1A1 substrate
Remark
Therapeutic category: 
Activity
Prokinetic, Acetylcholinesterase inhibitor
Comment
Treatment of functional dyspepsia
Target
ACHE [HSA:43] [KO:K01049];
CHRM1 [HSA:1128] [KO:K04129]
  Pathway
Glycerophospholipid metabolism
Neuroactive ligand-receptor interaction
Cholinergic synapse
Metabolism
Enzyme: CYP2C8 [HSA:1558], CYP1A1 [HSA:1543], CYP3A4 [HSA:1576], UGT1A8 [HSA:54576], UGT1A9 [HSA:54600]
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 (USAN); Acotiamide hydrochloride hydrate (JAN)
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Acetylcholine (muscarinic)
    muscarinic cholinergic receptor M1
     Acotiamide
      D08838  Acotiamide hydrochloride (USAN)
 Enzymes
  Hydrolases
   acetylcholinesterase (AChE)
    Acotiamide
     D08838  Acotiamide hydrochloride (USAN)
Cytochrome P450 interactions [BR:br08309]
 CYP substrates
  CYP1A1
   Acotiamide
    D08838  Acotiamide hydrochloride (USAN)
Gastrointestinal agents [br08371.html]
 Other gastrointestinal agents
  D08838
New drug approvals in Japan [br08318.html]
 Drugs with new active ingredients
  D08838
New drug approvals in the USA, Europe and Japan [br08328.html]
 Approval dates by FDA, EMA and PMDA
  D08838
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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