| Entry |
|
|---|
| Name |
Edasalonexent (USAN/INN) |
|---|
| Formula |
C31H42N2O3
|
|---|
| Exact mass |
490.3195
|
|---|
| Mol weight |
490.6768
|
|---|
| Structure |
|
|---|
| Efficacy |
Immunomodulator |
|---|
| Comment |
Treatment of Duchenne muscular dystrophy
|
|---|
| Target |
|
|---|
| Pathway |
|
|---|
| Brite |
Target-based classification of drugs [BR:br08310]
Not elsewhere classified
Signaling molecules
Transcription factor
RELA (NKFB3, p65)
D12181 Edasalonexent (USAN/INN)
|
|---|
| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 36
1 C8y C 29.1200 -19.3200
2 C8y C 29.1200 -17.9200
3 C8x C 27.9300 -17.2200
4 C8x C 26.6700 -17.9200
5 C8x C 26.6700 -19.3200
6 C8x C 27.9300 -20.0200
7 O1a O 30.3100 -20.0200
8 C5a C 30.3100 -17.2200
9 N1b N 31.5000 -17.9200
10 C1b C 32.6900 -17.2200
11 C1b C 33.8800 -17.9200
12 N1b N 35.0700 -17.2200
13 C5a C 36.2600 -17.9200
14 O5a O 30.3100 -15.8200
15 C1b C 37.4500 -17.2200
16 O5a O 36.2600 -19.3200
17 C1b C 38.6400 -17.9200
18 C2b C 39.8300 -17.2200
19 C2b C 41.2300 -17.2200
20 C1b C 42.4200 -17.9200
21 C2b C 43.6100 -17.2200
22 C2b C 45.0100 -17.2200
23 C1b C 46.2000 -17.9200
24 C2b C 47.3900 -17.2200
25 C2b C 48.7900 -17.2200
26 C1b C 49.9800 -17.9200
27 C2b C 51.1700 -17.2200
28 C2b C 52.5700 -17.2200
29 C1b C 53.7600 -17.9200
30 C2b C 54.9500 -17.2200
31 C2b C 56.3500 -17.2200
32 C1b C 57.5400 -17.9200
33 C2b C 58.7300 -17.2200
34 C2b C 60.1300 -17.2200
35 C1b C 61.3200 -17.9200
36 C1a C 62.5100 -17.2200
BOND 36
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 1 7 1
8 2 8 1
9 8 9 1
10 9 10 1
11 10 11 1
12 11 12 1
13 12 13 1
14 8 14 2
15 13 15 1
16 13 16 2
17 15 17 1
18 17 18 1
19 18 19 2
20 20 19 1
21 20 21 1
22 21 22 2
23 23 22 1
24 23 24 1
25 24 25 2
26 26 25 1
27 26 27 1
28 27 28 2
29 29 28 1
30 29 30 1
31 30 31 2
32 32 31 1
33 32 33 1
34 33 34 2
35 35 34 1
36 35 36 1
|
|---|
