| Entry |
|
|---|
| Name |
Aleplasinin (USAN/INN) |
|---|
| Formula |
C28H27NO3
|
|---|
| Exact mass |
425.1991
|
|---|
| Mol weight |
425.52
|
|---|
| Structure |
|
|---|
| Efficacy |
Dementia therapeutic agent, Plasminogen activator inhibitor-1 (PAI1) inhibitor |
|---|
| Comment |
Treatment of Alzheimer's disease
|
|---|
| Target |
|
|---|
| Pathway |
| hsa04610 | Complement and coagulation cascades |
|
|---|
| Brite |
Target-based classification of drugs [BR:br08310]
Peptidases and inhibitors
Peptidase inhibitors
Serpin family
SERPINE1 (PAI1)
D08656 Aleplasinin (USAN/INN)
|
|---|
| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 32
1 C8y C 14.9331 -15.4220
2 C8x C 14.9331 -16.8234
3 C8x C 16.1243 -17.5241
4 C8y C 17.3855 -16.8234
5 C8y C 17.3855 -15.4220
6 C8x C 16.1243 -14.7213
7 N4y N 18.7169 -17.2438
8 C8x C 19.5577 -16.1227
9 C8y C 18.7169 -15.0016
10 C8y C 13.7419 -14.7213
11 C8x C 13.7419 -13.3199
12 C8y C 12.4806 -12.6192
13 C8x C 11.2895 -13.3199
14 C8x C 11.2895 -14.7213
15 C8x C 12.4806 -15.4220
16 C1a C 12.4634 -11.2179
17 C5a C 18.7169 -13.6016
18 C6a C 19.9180 -12.9077
19 O5a O 17.4748 -12.8848
20 O6a O 21.1419 -13.6144
21 O6a O 19.9173 -11.4804
22 C1b C 18.7169 -18.6438
23 C8y C 19.8990 -19.3259
24 C8x C 19.8992 -20.7199
25 C8x C 21.1118 -21.4197
26 C8y C 22.3241 -20.7195
27 C8x C 22.3239 -19.3255
28 C8x C 21.1113 -18.6257
29 C1d C 23.5413 -21.4220
30 C1a C 24.7537 -22.1220
31 C1a C 24.2413 -20.2095
32 C1a C 22.8413 -22.6344
BOND 35
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 4 7 1
8 7 8 1
9 8 9 2
10 5 9 1
11 1 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 12 16 1
19 9 17 1
20 17 18 1
21 17 19 2
22 18 20 1
23 18 21 2
24 7 22 1
25 22 23 1
26 23 24 2
27 24 25 1
28 25 26 2
29 26 27 1
30 27 28 2
31 23 28 1
32 26 29 1
33 29 30 1
34 29 31 1
35 29 32 1
|
|---|
