| Entry |
|
|---|
| Name |
Osugacestat (USAN/INN) |
|---|
| Formula |
C26H26F6N4O3
|
|---|
| Exact mass |
556.1909
|
|---|
| Mol weight |
556.50
|
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| Structure |
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|---|
| Efficacy |
Antineoplastic, gamma-Secretase inhibitor |
|---|
| Target |
|
|---|
| Pathway |
|
|---|
| Brite |
Target-based classification of drugs [BR:br08310]
Enzymes
Hydrolases (EC3)
Aspartic peptidases
PSEN1/PSENEN/NCSTN/APH1A
D12235 Osugacestat (USAN/INN)
|
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| Other DBs |
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| LinkDB |
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| KCF data |
ATOM 39
1 N1y N 13.8600 -18.9700
2 C8y C 12.6700 -19.5300
3 C8y C 12.3200 -20.9300
4 C2y C 13.1600 -22.1200
5 C5x C 15.1900 -19.6000
6 N2x N 14.5600 -22.1200
7 C1y C 15.4700 -21.0000
8 C8x C 10.9900 -21.3500
9 C8x C 9.8700 -20.3700
10 C8x C 10.2200 -18.9700
11 C8x C 11.6900 -18.5500
12 C8y C 12.4600 -23.3100
13 C1a C 13.8600 -17.5000
14 O5x O 16.2400 -18.6900
15 C8x C 11.0600 -23.3100
16 C8x C 10.3600 -24.5000
17 C8x C 11.0600 -25.6900
18 C8x C 12.3900 -25.6900
19 C8x C 13.0900 -24.5000
20 N1b N 16.6600 -21.7000
21 C5a C 17.8500 -21.0000
22 C1c C 19.0400 -21.7000
23 O5a O 17.8500 -19.6000
24 C1c C 20.2581 -21.0099
25 C1b C 19.0286 -23.1000
26 C1b C 17.8192 -23.7852
27 C1d C 17.8774 -25.1994
28 X F 16.4774 -25.1994
29 X F 19.2774 -25.1994
30 X F 17.8774 -26.5994
31 C1b C 21.4395 -21.7050
32 C5a C 20.1998 -19.6006
33 O5a O 18.9831 -18.9634
34 N1a N 21.4039 -18.8371
35 C1b C 22.6449 -21.0220
36 C1d C 23.8161 -21.7109
37 X F 25.0285 -22.4109
38 X F 23.1161 -22.9233
39 X F 24.5161 -20.4985
BOND 41
1 3 4 1
2 1 5 1
3 4 6 2
4 2 3 1
5 5 7 1
6 1 2 1
7 6 7 1
8 3 8 2
9 8 9 1
10 9 10 2
11 10 11 1
12 2 11 2
13 4 12 1
14 1 13 1
15 5 14 2
16 12 15 2
17 15 16 1
18 16 17 2
19 17 18 1
20 18 19 2
21 12 19 1
22 7 20 1 #Up
23 20 21 1
24 22 21 1 #Up
25 21 23 2
26 22 24 1
27 22 25 1
28 25 26 1
29 26 27 1
30 27 28 1
31 27 29 1
32 27 30 1
33 24 31 1
34 24 32 1 #Up
35 32 33 2
36 32 34 1
37 31 35 1
38 35 36 1
39 36 37 1
40 36 38 1
41 36 39 1
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