KEGG   DRUG: Icopezil maleate
Entry
D03751                      Drug                                   

Name
Icopezil maleate (USAN)
Formula
C23H25N3O2. C4H4O4
Exact mass
491.2056
Mol weight
491.5357
Structure
Class
Neuropsychiatric agent
 DG01595  Cholinesterase inhibitor
  DG01593  Acetylcholinesterase inhibitor
Efficacy
Dementia therapeutic agent, Acetylcholinesterase inhibitor
Comment
Alzheimer's disease treatment, Cognition adjuvant
Target
ACHE [HSA:43] [KO:K01049]
  Pathway
hsa04725  Cholinergic synapse
Interaction
Brite
Target-based classification of drugs [BR:br08310]
 Enzymes
  Hydrolases (EC3)
   Carboxylic-ester hydrolases
    ACHE
     D03751  Icopezil maleate (USAN)
Other DBs
CAS: 145815-98-1
PubChem: 17397840
ChEMBL: CHEMBL329012
LigandBox: D03751
KCF data

ATOM        36
            1   C1b C    19.8100  -19.8800
            2   C1b C    21.0700  -20.5800
            3   C1y C    22.2600  -19.8800
            4   C1x C    22.2600  -18.5500
            5   C1x C    23.4500  -20.5800
            6   C1x C    23.4500  -17.8500
            7   C1x C    24.6400  -19.9500
            8   N1y N    24.6400  -18.5500
            9   C1b C    25.9000  -17.8500
            10  C8y C    27.0900  -18.5500
            11  C8x C    28.2800  -17.8500
            12  C8x C    27.0900  -19.9500
            13  C8x C    29.4700  -18.5500
            14  C8x C    28.2800  -20.5800
            15  C8x C    29.4700  -19.9500
            16  C8y C    18.6200  -20.5800
            17  N5x N    18.6200  -21.9800
            18  O2x O    17.2900  -22.4000
            19  C8y C    16.5200  -21.2800
            20  C8y C    17.2900  -20.1600
            21  C8x C    15.1200  -21.2800
            22  C8y C    14.4200  -20.0900
            23  C8y C    15.0500  -18.9000
            24  C8x C    16.4500  -18.9000
            25  N1x N    12.9500  -19.8100
            26  C5x C    12.9500  -18.4800
            27  C1x C    14.1400  -17.9200
            28  O5x O    11.6900  -17.7800
            29  C2b C    33.8800  -18.8300
            30  C2b C    35.6300  -18.8300
            31  C6a C    33.1800  -20.0900
            32  C6a C    36.3300  -20.0900
            33  O6a O    37.7300  -20.0900
            34  O6a O    31.7800  -20.0900
            35  O6a O    33.8800  -21.2800
            36  O6a O    35.6300  -21.2800
BOND        39
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     3   5 1
            5     4   6 1
            6     5   7 1
            7     6   8 1
            8     8   9 1
            9     9  10 1
            10   10  11 2
            11   10  12 1
            12   11  13 1
            13   12  14 2
            14   13  15 2
            15    7   8 1
            16   14  15 1
            17    1  16 1
            18   16  17 2
            19   17  18 1
            20   18  19 1
            21   19  20 1
            22   16  20 1
            23   19  21 2
            24   21  22 1
            25   22  23 2
            26   23  24 1
            27   24  20 2
            28   22  25 1
            29   25  26 1
            30   26  27 1
            31   23  27 1
            32   26  28 2
            33   29  30 2
            34   29  31 1
            35   30  32 1
            36   32  33 2
            37   31  34 1
            38   31  35 2
            39   32  36 1

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