| Entry |
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| Name |
Varegacestat (USAN/INN) |
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| Formula |
C26H25F7N4O3
|
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| Exact mass |
574.1815
|
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| Mol weight |
574.49
|
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| Structure |
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| Efficacy |
Antineoplastic, gamma-Secretase inhibitor |
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| Target |
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| Pathway |
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| Brite |
Target-based classification of drugs [BR:br08310]
Peptidases and inhibitors
Aspartic peptidases
Presenilin family
PSEN1/PSENEN/NCSTN/APH1A
D13031 Varegacestat (USAN/INN)
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| Other DBs |
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| LinkDB |
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| KCF data |
ATOM 40
1 N1x N 15.0724 -12.8992
2 C8y C 13.8807 -13.4600
3 C8y C 13.5301 -14.8621
4 C2y C 14.3714 -16.0539
5 C5x C 16.4044 -13.5301
6 N2x N 15.7735 -16.0539
7 C1y C 16.6848 -14.9322
8 C8x C 12.1982 -15.2828
9 C8x C 11.0765 -14.3013
10 C8x C 11.4270 -12.8992
11 C8y C 12.8992 -12.4786
12 C8y C 13.6704 -17.2457
13 O5x O 17.3859 -12.6188
14 C8x C 12.2683 -17.2457
15 C8x C 11.5672 -18.4375
16 C8x C 12.2683 -19.6292
17 C8y C 13.6002 -19.6292
18 C8x C 14.3013 -18.4375
19 N1b N 17.8065 -15.6333
20 C5a C 18.9983 -14.9322
21 C1c C 20.1901 -15.6333
22 O5a O 18.9983 -13.5301
23 C1c C 21.4519 -14.9322
24 C1b C 20.1901 -17.0354
25 C1b C 18.9983 -17.7364
26 C1d C 18.9984 -19.1385
27 X F 17.5963 -19.1385
28 X F 20.4005 -19.1385
29 X F 18.9984 -20.5406
30 C1b C 22.6437 -15.6333
31 C5a C 21.3818 -13.5301
32 O5a O 20.1901 -12.8992
33 N1a N 22.5736 -12.8291
34 C1b C 23.8355 -15.0023
35 C1d C 24.9572 -15.6333
36 X F 26.2190 -16.3343
37 X F 24.2561 -16.8952
38 X F 25.6582 -14.4415
39 C1a C 13.2538 -11.1108
40 X F 14.2777 -20.8138
BOND 42
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 5 13 2
15 12 14 2
16 14 15 1
17 15 16 2
18 16 17 1
19 17 18 2
20 12 18 1
21 7 19 1 #Up
22 19 20 1
23 21 20 1 #Up
24 20 22 2
25 21 23 1
26 21 24 1
27 24 25 1
28 25 26 1
29 26 27 1
30 26 28 1
31 26 29 1
32 23 30 1
33 23 31 1 #Up
34 31 32 2
35 31 33 1
36 30 34 1
37 34 35 1
38 35 36 1
39 35 37 1
40 35 38 1
41 11 39 1
42 17 40 1
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