| Entry |
|
|---|
| Name |
Selnoflast (USAN/INN) |
|---|
| Formula |
C20H29N3O3S
|
|---|
| Exact mass |
391.193
|
|---|
| Mol weight |
391.5276
|
|---|
| Structure |
|
|---|
| Remark |
|
|---|
| Efficacy |
Anti-inflammatory |
|---|
| Comment |
Treatment of inflammatory conditions
|
|---|
| Target |
|
|---|
| Pathway |
| hsa04621 | NOD-like receptor signaling pathway |
| hsa04625 | C-type lectin receptor signaling pathway |
|
|---|
| Brite |
Target-based classification of drugs [BR:br08310]
Cytokines and receptors
Pattern recognition receptors
NOD-like receptors
NLRP3
D12422 Selnoflast (USAN/INN)
|
|---|
| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 27
1 C8y C 20.9300 -11.5500
2 C8y C 20.9300 -12.9500
3 C8y C 22.1424 -13.6500
4 C8y C 23.3549 -12.9500
5 C8x C 23.3549 -11.5500
6 C8y C 22.1424 -10.8500
7 C1x C 22.4335 -15.0194
8 C1x C 23.8259 -15.1658
9 C1x C 24.3953 -13.8868
10 C1x C 21.8514 -9.4806
11 C1x C 20.4590 -9.3342
12 C1x C 19.8896 -10.6132
13 N1b N 19.7176 -13.6500
14 C5a C 18.5221 -12.9596
15 N1b N 17.3347 -13.6451
16 O5a O 18.5220 -11.5503
17 S4a S 16.1435 -12.9571
18 C1y C 14.9540 -13.6438
19 C1x C 13.7639 -12.9565
20 C1x C 12.5513 -13.6563
21 N1y N 12.5511 -15.0563
22 C1x C 13.7413 -15.7436
23 C1x C 14.9538 -15.0438
24 C1b C 11.3256 -15.7638
25 C1a C 10.1182 -15.0666
26 O3c O 15.4435 -11.7447
27 O3c O 16.8435 -11.7447
BOND 30
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 3 7 1
8 7 8 1
9 8 9 1
10 4 9 1
11 6 10 1
12 10 11 1
13 11 12 1
14 1 12 1
15 2 13 1
16 13 14 1
17 14 15 1
18 14 16 2
19 15 17 1
20 17 18 1
21 18 19 1
22 19 20 1
23 20 21 1
24 21 22 1
25 22 23 1
26 18 23 1
27 21 24 1
28 24 25 1
29 17 26 2
30 17 27 2
|
|---|
