KEGG   DRUG: Quilostigmine
Entry
D03823                      Drug                                   

Name
Quilostigmine (USAN/INN)
Formula
C23H27N3O2
Exact mass
377.2103
Mol weight
377.4794
Structure
Simcomp
Efficacy
Dementia therapeutic agent, Acetylcholinesterase inhibitor
Comment
Treatment of Alzheimer's disease
Target
ACHE [HSA:43] [KO:K01049]
  Pathway
hsa04725  Cholinergic synapse
Brite
Target-based classification of drugs [BR:br08310]
 Enzymes
  Hydrolases (EC3)
   Carboxylic-ester hydrolases
    ACHE
     D03823  Quilostigmine (USAN/INN)
Other DBs
CAS: 139314-01-5
PubChem: 17397909
ChEMBL: CHEMBL1243298
LigandBox: D03823
KCF data

ATOM        28
            1   C1z C    32.2700  -17.0100
            2   C8y C    30.9400  -17.4300
            3   C1y C    33.1100  -18.1300
            4   C1x C    33.0400  -15.8900
            5   C1a C    31.4300  -15.8900
            6   C8y C    30.9400  -18.8300
            7   C8x C    29.7500  -16.7300
            8   N1y N    32.2700  -19.2500
            9   N1y N    34.3700  -17.7100
            10  C1x C    34.3700  -16.3100
            11  C8x C    29.7500  -19.5300
            12  C8y C    28.5600  -17.4300
            13  C1a C    32.8300  -20.5800
            14  C8x C    28.5600  -18.8300
            15  O7a O    27.3700  -16.7300
            16  C7a C    26.1100  -17.4300
            17  N1y N    24.9200  -16.7300
            18  O6a O    26.1100  -18.8300
            19  C1a C    35.4900  -18.5500
            20  C1x C    24.9200  -15.3300
            21  C1x C    23.7300  -14.6300
            22  C8y C    22.4700  -15.3300
            23  C8y C    22.4700  -16.7300
            24  C1x C    23.7300  -17.4300
            25  C8x C    21.2100  -14.6300
            26  C8x C    20.0200  -15.4000
            27  C8x C    20.0200  -16.8000
            28  C8x C    21.2800  -17.4300
BOND        32
            1    16  17 1
            2    16  18 2
            3     6   8 1
            4     9  10 1
            5    12  14 2
            6     1   2 1
            7     1   3 1
            8     1   4 1
            9     1   5 1 #Up
            10    2   6 1
            11    2   7 2
            12    3   8 1
            13    3   9 1
            14    4  10 1
            15    6  11 2
            16    7  12 1
            17    8  13 1
            18   11  14 1
            19   12  15 1
            20   15  16 1
            21    9  19 1
            22   17  20 1
            23   20  21 1
            24   21  22 1
            25   22  23 1
            26   23  24 1
            27   17  24 1
            28   22  25 2
            29   25  26 1
            30   26  27 2
            31   27  28 1
            32   23  28 2

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