| Entry |
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|---|
| Name |
Buntanetap (USAN) |
|---|
| Formula |
C20H23N3O2
|
|---|
| Exact mass |
337.1790
|
|---|
| Mol weight |
337.41
|
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| Structure |
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| Class |
Neuropsychiatric agent
DG01595 Cholinesterase inhibitor
DG01593 Acetylcholinesterase inhibitor
|
|---|
| Remark |
|
|---|
| Efficacy |
Neurodegenerative diseases agent, Acetylcholinesterase inhibitor |
|---|
| Comment |
Physostigmine derivative
Treatment of neurodegenerative diseases (Alzheimer's, Parkinson's)
|
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| Target |
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| Pathway |
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|---|
| Interaction |
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| Brite |
Drug groups [BR:br08330]
Neuropsychiatric agent
DG01595 Cholinesterase inhibitor
DG01593 Acetylcholinesterase inhibitor
DG03220 Buntanetap
D12318 Buntanetap
Target-based classification of drugs [BR:br08310]
Enzymes
Hydrolases (EC3)
Carboxylic-ester hydrolases
ACHE
D12318 Buntanetap (USAN)
Drug groups [BR:br08330]
Neuropsychiatric agent
DG01595 Cholinesterase inhibitor
DG01593 Acetylcholinesterase inhibitor
DG03220 Buntanetap
|
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| Other DBs |
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| LinkDB |
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| KCF data |
ATOM 25
1 C1z C 17.5579 -26.1507
2 C8y C 16.2944 -26.5719
3 C1y C 18.4001 -27.2738
4 C1x C 18.4001 -24.9575
5 C1a C 16.7156 -25.0277
6 C8y C 16.2944 -27.9757
7 C8x C 15.0310 -25.8700
8 N1y N 17.5579 -28.3968
9 N1y N 19.7338 -26.8526
10 C1x C 19.7338 -25.3786
11 C8x C 15.0310 -28.6776
12 C8y C 13.8378 -26.5719
13 C1a C 17.9790 -29.7304
14 C8x C 13.8378 -27.9757
15 O7a O 12.6445 -25.8700
16 C7a C 11.4513 -26.5719
17 N1b N 10.2581 -25.8700
18 O6a O 11.4513 -27.9757
19 C8y C 8.9946 -26.5719
20 C1a C 20.8568 -27.6247
21 C8x C 7.7816 -25.9141
22 C8x C 6.5576 -26.5936
23 C8x C 6.6041 -27.9934
24 C8x C 7.7471 -28.7212
25 C8x C 8.9711 -28.0417
BOND 28
1 16 17 1
2 16 18 2
3 17 19 1
4 6 8 1
5 9 10 1
6 12 14 1
7 1 2 1
8 1 3 1
9 1 4 1
10 1 5 1 #Down
11 2 6 2
12 2 7 1
13 3 8 1
14 3 9 1
15 4 10 1
16 6 11 1
17 7 12 2
18 8 13 1
19 11 14 2
20 12 15 1
21 15 16 1
22 9 20 1
23 19 21 2
24 21 22 1
25 22 23 2
26 23 24 1
27 24 25 2
28 19 25 1
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