| Entry |
|
|---|
| Name |
Lanabecestat (USAN/INN) |
|---|
| Formula |
C26H28N4O
|
|---|
| Exact mass |
412.2263
|
|---|
| Mol weight |
412.53
|
|---|
| Structure |
|
|---|
| Remark |
|
|---|
| Efficacy |
Dementia therapeutic agent, beta-Secretase inhibitor |
|---|
| Comment |
Treatment of Alzheimer's disease
|
|---|
| Target |
|
|---|
| Pathway |
|
|---|
| Brite |
Target-based classification of drugs [BR:br08310]
Peptidases and inhibitors
Aspartic peptidases
Pepsin family
BACE1
D10946 Lanabecestat (USAN/INN)
|
|---|
| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 31
1 C8y C 18.0600 -16.0300
2 C8y C 18.0600 -17.4300
3 C1x C 19.3915 -17.8626
4 C1z C 20.2144 -16.7300
5 C1z C 19.3915 -15.5974
6 C8x C 16.8476 -15.3300
7 C8y C 15.6351 -16.0300
8 C8x C 15.6351 -17.4300
9 C8x C 16.8476 -18.1300
10 C8y C 14.4040 -15.3190
11 C8x C 14.4043 -13.9301
12 N5x N 13.1920 -13.2298
13 C8x C 11.9794 -13.9295
14 C8y C 11.9791 -15.3184
15 C8x C 13.1914 -16.0187
16 C1x C 20.9144 -17.9424
17 C1x C 22.3144 -17.9424
18 C1y C 23.0144 -16.7300
19 C1x C 22.3144 -15.5176
20 C1x C 20.9144 -15.5176
21 O2a O 24.4300 -16.7300
22 C1a C 25.1300 -17.9424
23 N2x N 20.6039 -14.8974
24 C2y C 20.3128 -13.5280
25 C2y C 18.9205 -13.3816
26 N2x N 18.3511 -14.6606
27 N1a N 18.2105 -12.1515
28 C1a C 21.2527 -12.4842
29 C3b C 10.7547 -16.0249
30 C3b C 9.5422 -16.7249
31 C1a C 8.3298 -17.4249
BOND 35
1 1 2 2
2 2 3 1
3 4 3 1 #Down
4 4 5 1
5 1 5 1
6 1 6 1
7 6 7 2
8 7 8 1
9 8 9 2
10 2 9 1
11 7 10 1
12 10 11 2
13 11 12 1
14 12 13 2
15 13 14 1
16 14 15 2
17 10 15 1
18 4 16 1
19 16 17 1
20 17 18 1
21 18 19 1
22 19 20 1
23 4 20 1
24 18 21 1 #Down
25 21 22 1
26 5 23 1 #Up
27 23 24 2
28 24 25 1
29 25 26 2
30 5 26 1 #Down
31 25 27 1
32 24 28 1
33 14 29 1
34 29 30 3
35 30 31 1
|
|---|
