| Entry |
|
|---|
| Name |
Nivegacetor (USAN/INN) |
|---|
| Formula |
C23H25F2N7O2
|
|---|
| Exact mass |
469.2038
|
|---|
| Mol weight |
469.49
|
|---|
| Structure |
|
|---|
| Efficacy |
Dementia therapeutic agent, gamma-Secretase modulator |
|---|
| Comment |
Treatment of Alzheimer's disease
|
|---|
| Target |
|
|---|
| Pathway |
|
|---|
| Brite |
Target-based classification of drugs [BR:br08310]
Peptidases and inhibitors
Aspartic peptidases
Presenilin family
PSEN1/PSENEN/NCSTN/APH1A
D13199 Nivegacetor (USAN/INN)
|
|---|
| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 34
1 N1y N 20.2300 -16.4500
2 C1x C 19.1800 -16.1000
3 C1y C 17.6400 -16.6600
4 C1y C 16.9400 -15.4000
5 C1y C 18.0600 -15.8200
6 C1x C 19.5300 -15.2600
7 C1x C 18.7600 -17.2900
8 C1x C 18.0600 -18.2000
9 C8y C 21.4200 -17.1500
10 C8x C 21.4200 -18.5500
11 N5x N 22.6100 -19.2500
12 N5x N 23.8700 -18.5500
13 C8y C 23.8700 -17.1500
14 C8x C 22.6100 -16.4500
15 O2a O 25.0600 -16.4500
16 C1a C 26.3200 -17.1500
17 N1b N 15.7500 -14.7000
18 C8y C 14.5600 -15.4000
19 N5x N 13.3000 -14.8400
20 C8y C 12.3200 -15.8900
21 N4y N 13.0900 -17.0800
22 N5x N 14.4200 -16.8000
23 C1y C 10.9900 -16.1700
24 C1x C 10.8500 -17.5700
25 C1x C 12.1100 -18.1300
26 O2a O 9.8000 -15.4700
27 C8y C 8.6100 -16.1700
28 C8x C 7.4200 -15.4700
29 C8y C 6.1600 -16.1700
30 C8x C 6.1600 -17.5700
31 C8y C 7.3500 -18.2700
32 C8x C 8.6100 -17.5700
33 X F 7.3328 -19.6699
34 X F 4.9534 -15.4600
BOND 39
1 1 2 1
2 2 3 1
3 3 4 1
4 4 5 1
5 5 6 1
6 6 1 1
7 5 7 1
8 7 8 1
9 3 8 1
10 9 10 2
11 10 11 1
12 11 12 2
13 12 13 1
14 13 14 2
15 9 14 1
16 9 1 1
17 13 15 1
18 15 16 1
19 4 17 1 #Up
20 17 18 1
21 18 19 1
22 19 20 2
23 20 21 1
24 21 22 1
25 18 22 2
26 20 23 1
27 23 24 1
28 24 25 1
29 21 25 1
30 23 26 1 #Up
31 26 27 1
32 27 28 2
33 28 29 1
34 29 30 2
35 30 31 1
36 31 32 2
37 27 32 1
38 31 33 1
39 29 34 1
|
|---|
