| Entry |
|
|---|
| Name |
Begacestat (USAN/INN) |
|---|
| Formula |
C9H8ClF6NO3S2
|
|---|
| Exact mass |
390.9538
|
|---|
| Mol weight |
391.74
|
|---|
| 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]
Enzymes
Hydrolases (EC3)
Aspartic peptidases
PSEN1/PSENEN/NCSTN/APH1A
D08869 Begacestat (USAN/INN)
|
|---|
| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 22
1 C8y C 18.1515 -15.1169
2 C8x C 18.6100 -16.4495
3 C8x C 20.0192 -16.4250
4 C8y C 20.4313 -15.0774
5 S2x S 19.2771 -14.2689
6 X Cl 16.8136 -14.7074
7 S4a S 21.6405 -14.4123
8 N1b N 22.8523 -15.1120
9 C1c C 24.0641 -14.4123
10 C1c C 25.2758 -15.1120
11 O3c O 20.7211 -13.3530
12 O3c O 22.3401 -13.2006
13 C1b C 24.0641 -13.0131
14 O1a O 25.0536 -12.0237
15 C1d C 26.4728 -14.4208
16 C1d C 25.2759 -16.5111
17 X F 27.6846 -13.7212
18 X F 25.7630 -13.1909
19 X F 27.1616 -15.6144
20 X F 25.2759 -17.9104
21 X F 26.6554 -16.5110
22 X F 23.8569 -16.5111
BOND 22
1 1 2 2
2 2 3 1
3 3 4 2
4 4 5 1
5 1 5 1
6 1 6 1
7 4 7 1
8 7 8 1
9 8 9 1
10 9 10 1
11 7 11 2
12 7 12 2
13 9 13 1 #Down
14 13 14 1
15 10 15 1
16 10 16 1
17 15 17 1
18 15 18 1
19 15 19 1
20 16 20 1
21 16 21 1
22 16 22 1
|
|---|
