| Entry |
|
|---|
| Name |
Sembragiline (USAN/INN) |
|---|
| Formula |
C19H19FN2O3
|
|---|
| Exact mass |
342.138
|
|---|
| Mol weight |
342.3642
|
|---|
| Structure |
|
|---|
| Efficacy |
Dementia therapeutic agent, Monoamine oxidase B (MAO-B) inhibitor |
|---|
| Comment |
Treatment of Alzheimer's disease
|
|---|
| Target |
|
|---|
| Pathway |
|
|---|
| Brite |
Target-based classification of drugs [BR:br08310]
Enzymes
Oxidoreductases (EC1)
Amine oxidases
MAOB
D11224 Sembragiline (USAN/INN)
|
|---|
| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 25
1 N1y N 12.6000 -11.4100
2 C5x C 12.6000 -12.8100
3 C1x C 13.9300 -13.2300
4 C1y C 14.7700 -12.1100
5 C1x C 13.9300 -10.9900
6 N1b N 16.1700 -12.1100
7 C5a C 16.8700 -13.3000
8 C1a C 18.2700 -13.3000
9 O5a O 16.1700 -14.4900
10 O5x O 11.4800 -13.6500
11 C8y C 8.9600 -9.3100
12 C8x C 8.9600 -10.7100
13 C8x C 10.1500 -11.4100
14 C8y C 11.4100 -10.7100
15 C8x C 11.4100 -9.3100
16 C8x C 10.1500 -8.6100
17 O2a O 7.7447 -8.6149
18 C1b C 6.5563 -9.3077
19 C8y C 5.3599 -8.6235
20 C8x C 5.4239 -7.2105
21 C8x C 4.1385 -6.5156
22 C8x C 2.9290 -7.2208
23 C8y C 2.9350 -8.6338
24 C8x C 4.1504 -9.3286
25 X F 1.7396 -9.3305
BOND 27
1 1 2 1
2 2 3 1
3 3 4 1
4 4 5 1
5 1 5 1
6 4 6 1 #Up
7 6 7 1
8 7 8 1
9 7 9 2
10 2 10 2
11 11 12 2
12 12 13 1
13 13 14 2
14 14 15 1
15 15 16 2
16 11 16 1
17 14 1 1
18 11 17 1
19 17 18 1
20 18 19 1
21 19 20 2
22 20 21 1
23 21 22 2
24 22 23 1
25 23 24 2
26 19 24 1
27 23 25 1
|
|---|
