| Entry |
|
|---|
| Name |
Elenbecestat (JAN/USAN) |
|---|
| Formula |
C19H18F3N5O2S
|
|---|
| Exact mass |
437.1133
|
|---|
| Mol weight |
437.44
|
|---|
| Structure |
|
|---|
| Efficacy |
Dementia therapeutic agent, beta-Secretase inhibitor |
|---|
| Comment |
Treatment of mild cognitive impairment and mild dementia due to Alzheimer's disease
|
|---|
| Target |
|
|---|
| Pathway |
|
|---|
| Brite |
Target-based classification of drugs [BR:br08310]
Peptidases and inhibitors
Aspartic peptidases
Pepsin family
BACE
D11509 Elenbecestat (JAN/USAN)
|
|---|
| Other DBs |
|
|---|
| KCF data |
ATOM 30
1 C8y C 19.5300 -14.3500
2 N5x N 19.5300 -15.7500
3 C8x C 18.3400 -16.4500
4 C8y C 17.0800 -15.7500
5 N5x N 17.0800 -14.3500
6 C8x C 18.3400 -13.6500
7 C1c C 20.7200 -13.6500
8 X F 21.9100 -14.3500
9 X F 20.7200 -12.2500
10 C5a C 15.8900 -16.4500
11 N1b N 14.7000 -15.7500
12 O5a O 15.8900 -17.8500
13 C8y C 13.5100 -16.4500
14 C8x C 13.5100 -17.8500
15 C8y C 12.2500 -18.5500
16 C8y C 11.0600 -17.8500
17 C8x C 11.0600 -16.4500
18 C8x C 12.2500 -15.7500
19 X F 9.8700 -18.5500
20 C1z C 12.2500 -19.9500
21 C2y C 14.7000 -19.9500
22 S2x S 14.7000 -21.3500
23 C1x C 13.5100 -22.0500
24 C1y C 12.2500 -21.3500
25 N2x N 13.5100 -19.2500
26 C1y C 10.9200 -21.7700
27 O2x O 10.1500 -20.6500
28 C1x C 10.9200 -19.5300
29 N1a N 15.8900 -19.2500
30 C1a C 10.4300 -23.1000
BOND 33
1 1 2 2
2 2 3 1
3 3 4 2
4 4 5 1
5 5 6 2
6 1 6 1
7 1 7 1
8 7 8 1
9 7 9 1
10 4 10 1
11 10 11 1
12 10 12 2
13 11 13 1
14 13 14 2
15 14 15 1
16 15 16 2
17 16 17 1
18 17 18 2
19 13 18 1
20 16 19 1
21 20 15 1 #Up
22 21 22 1
23 22 23 1
24 23 24 1
25 24 20 1
26 20 25 1
27 21 25 2
28 24 26 1
29 26 27 1
30 27 28 1
31 20 28 1
32 21 29 1
33 26 30 1 #Up
|
|---|
