| Entry |
|
|---|
| Name |
Selgantolimod (USAN/INN) |
|---|
| Formula |
C14H20FN5O
|
|---|
| Exact mass |
293.1652
|
|---|
| Mol weight |
293.34
|
|---|
| Structure |
|
|---|
| Efficacy |
Antiviral, Toll-like receptor agonist |
|---|
| Comment |
Treatment of hepatitis B
|
|---|
| Target |
|
|---|
| Pathway |
| hsa04613 | Neutrophil extracellular trap formation |
| hsa04620 | Toll-like receptor signaling pathway |
|
|---|
| Brite |
Target-based classification of drugs [BR:br08310]
Cytokines and receptors
Pattern recognition receptors
Toll-like receptors
TLR8 (CD288)
D11871 Selgantolimod (USAN/INN)
|
|---|
| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 21
1 N5x N 10.5700 -17.2900
2 C8y C 10.5700 -18.6900
3 N5x N 11.7824 -19.3900
4 C8y C 12.9949 -18.6900
5 C8y C 12.9949 -17.2900
6 C8y C 11.7824 -16.5900
7 C8x C 14.2073 -19.3900
8 C8y C 15.4197 -18.6900
9 C8x C 15.4197 -17.2900
10 N5x N 14.2073 -16.5900
11 X F 16.6173 -19.3815
12 N1a N 9.3576 -19.3900
13 N1b N 11.7824 -15.1902
14 C1d C 10.5532 -14.4803
15 C1b C 9.3492 -15.1754
16 C1b C 10.5534 -13.0901
17 C1a C 9.3408 -13.7803
18 C1b C 8.1663 -14.4923
19 C1b C 6.9727 -15.1815
20 C1a C 5.7845 -14.4954
21 O1a O 9.3535 -12.3970
BOND 22
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 4 7 1
8 7 8 2
9 8 9 1
10 9 10 2
11 5 10 1
12 8 11 1
13 2 12 1
14 6 13 1
15 13 14 1
16 14 15 1
17 14 16 1
18 14 17 1 #Up
19 15 18 1
20 18 19 1
21 19 20 1
22 16 21 1
|
|---|
