| Entry |
|
|---|
| Name |
Semagacestat (USAN/INN) |
|---|
| Formula |
C19H27N3O4
|
|---|
| Exact mass |
361.2002
|
|---|
| Mol weight |
361.43
|
|---|
| Structure |
|
|---|
| Efficacy |
Dementia therapeutic agent, gamma-Secretase inhibitor |
|---|
| Comment |
Treatment of Alzheimer's disease
|
|---|
| Target |
|
|---|
| Pathway |
|
|---|
| Structure map |
| map07056 | Agents for Alzheimer-type dementia |
|
|---|
| Brite |
Target-based classification of drugs [BR:br08310]
Peptidases and inhibitors
Aspartic peptidases
Presenilin family
PSEN1/PSENEN/NCSTN/APH1A
D09377 Semagacestat (USAN/INN)
|
|---|
| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 26
1 N1y N 14.9800 -14.8400
2 C1x C 13.7900 -15.4000
3 C1x C 13.4400 -16.8000
4 C8y C 14.2800 -17.9900
5 C5x C 16.3100 -15.4700
6 C8y C 15.6800 -17.9900
7 C1y C 16.5900 -16.8700
8 C1a C 14.9800 -13.4400
9 O5x O 17.2900 -14.5600
10 N1b N 17.7100 -17.5700
11 C5a C 18.8300 -16.8700
12 C1c C 20.0200 -17.5700
13 O5a O 18.8300 -15.4700
14 N1b N 21.2800 -16.8700
15 C1a C 20.0200 -18.9700
16 C8x C 13.5800 -19.2500
17 C8x C 14.2800 -20.4400
18 C8x C 15.6800 -20.4400
19 C8x C 16.3800 -19.2500
20 C5a C 22.4700 -17.5700
21 C1c C 23.7300 -16.9400
22 O5a O 22.4700 -18.9700
23 C1c C 24.9200 -17.6400
24 C1a C 26.1800 -16.9400
25 C1a C 24.9200 -19.0400
26 O1a O 23.7300 -15.5400
BOND 27
1 3 4 1
2 1 5 1
3 4 6 1
4 2 3 1
5 5 7 1
6 1 2 1
7 6 7 1
8 1 8 1
9 5 9 2
10 7 10 1 #Up
11 10 11 1
12 12 11 1
13 11 13 2
14 12 14 1
15 12 15 1 #Up
16 4 16 2
17 16 17 1
18 17 18 2
19 18 19 1
20 6 19 2
21 14 20 1
22 20 21 1
23 20 22 2
24 21 23 1
25 23 24 1
26 23 25 1
27 21 26 1 #Up
|
|---|
