Entry |
|
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 |
|
Pathway |
|
Brite |
Target-based classification of drugs [BR:br08310]
Enzymes
Hydrolases (EC3)
Carboxylic-ester hydrolases
ACHE
D03823 Quilostigmine (USAN/INN)
|
Other DBs |
|
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
|