| | DRUG: Buntanetap tartrate | |
Entry |
|
Name |
Buntanetap tartrate (USAN) |
Formula |
C20H23N3O2. C4H6O6
|
Exact mass |
487.1955
|
Mol weight |
487.50
|
Structure |
|
Class |
Neuropsychiatric agent
DG01595 Cholinesterase inhibitor
DG01593 Acetylcholinesterase inhibitor
|
Remark |
|
Efficacy |
Neurodegenerative diseases agent, Acetylcholinesterase inhibitor |
Comment |
Treatment of neurodegenerative diseases (Alzheimer's, Parkinson's)
|
Target |
|
Pathway |
|
Interaction |
|
Brite |
Drug groups [BR:br08330]
Neuropsychiatric agent
DG01595 Cholinesterase inhibitor
DG01593 Acetylcholinesterase inhibitor
DG03220 Buntanetap
D12319 Buntanetap tartrate
Target-based classification of drugs [BR:br08310]
Enzymes
Hydrolases (EC3)
Carboxylic-ester hydrolases
ACHE
D12319 Buntanetap tartrate (USAN)
Drug groups [BR:br08330]
Neuropsychiatric agent
DG01595 Cholinesterase inhibitor
DG01593 Acetylcholinesterase inhibitor
DG03220 Buntanetap
|
Other DBs |
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LinkDB |
|
KCF data |
ATOM 35
1 C1z C 15.0816 -14.6043
2 C8y C 13.8237 -15.0235
3 C1y C 15.9201 -15.7223
4 C1x C 15.9201 -13.3464
5 C1a C 14.2430 -13.4163
6 C8y C 13.8237 -16.4211
7 C8x C 12.5659 -14.3247
8 N1y N 15.0816 -16.8404
9 N1y N 17.2478 -15.3031
10 C1x C 17.2478 -13.8356
11 C8x C 12.5659 -17.1199
12 C8y C 11.3779 -15.0235
13 C1a C 15.5008 -18.1681
14 C8x C 11.3779 -16.4211
15 O7a O 10.1899 -14.3247
16 C7a C 9.0020 -15.0235
17 N1b N 7.8140 -14.3247
18 O6a O 9.0020 -16.4211
19 C8y C 6.4863 -15.0235
20 C1a C 18.3659 -16.0717
21 C8x C 5.2983 -14.3247
22 C8x C 4.1104 -15.0235
23 C8x C 4.1104 -16.4211
24 C8x C 5.2983 -17.1199
25 C8x C 6.4863 -16.4910
26 C6a C 23.2400 -15.4000
27 C1c C 24.4524 -16.1000
28 O6a O 22.0276 -16.1000
29 C1c C 25.6479 -15.4096
30 C6a C 26.8353 -16.0951
31 O6a O 28.0265 -15.4071
32 O6a O 23.2400 -14.0000
33 O6a O 26.8355 -17.4998
34 O1a O 24.4525 -17.4998
35 O1a O 25.6480 -14.0003
BOND 37
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
29 26 27 1
30 26 28 1
31 27 29 1
32 29 30 1
33 30 31 1
34 26 32 2
35 30 33 2
36 27 34 1 #Up
37 29 35 1 #Up
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