| Entry |
|
|---|
| Name |
Vesatolimod (USAN/INN) |
|---|
| Formula |
C22H30N6O2
|
|---|
| Exact mass |
410.2430
|
|---|
| Mol weight |
410.51
|
|---|
| Structure |
|
|---|
| Efficacy |
Antiviral, Toll-like receptor agonist |
|---|
| 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
TLR7
D11003 Vesatolimod (USAN/INN)
|
|---|
| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 30
1 C1x C 14.2800 -17.7800
2 C5x C 14.2800 -19.1800
3 N1x N 15.4924 -19.8800
4 C8y C 16.7049 -19.1800
5 C8y C 16.7049 -17.7800
6 N1y N 15.4924 -17.0800
7 C8y C 17.9173 -19.8800
8 N5x N 19.1297 -19.1800
9 C8y C 19.1297 -17.7800
10 N5x N 17.9173 -17.0800
11 C1b C 15.4924 -15.6802
12 C8y C 14.2632 -14.9703
13 C8x C 14.2635 -13.5801
14 C8x C 13.0512 -12.8799
15 C8x C 11.8386 -13.5796
16 C8y C 11.8383 -14.9698
17 C8x C 13.0506 -15.6701
18 N1a N 17.9173 -21.2800
19 O5x O 13.0676 -19.8800
20 O2a O 20.3224 -17.0800
21 C1b C 21.5349 -17.7800
22 C1b C 22.7473 -17.0800
23 C1b C 23.9597 -17.7800
24 C1a C 25.1722 -17.0800
25 C1b C 10.6151 -15.6757
26 N1y N 9.4234 -14.9872
27 C1x C 9.2770 -13.5907
28 C1x C 7.9037 -13.2984
29 C1x C 7.2013 -14.5142
30 C1x C 8.1405 -15.5580
BOND 33
1 1 2 1
2 2 3 1
3 3 4 1
4 4 5 2
5 5 6 1
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 6 11 1
13 11 12 1
14 12 13 2
15 13 14 1
16 14 15 2
17 15 16 1
18 16 17 2
19 12 17 1
20 7 18 1
21 2 19 2
22 9 20 1
23 20 21 1
24 21 22 1
25 22 23 1
26 23 24 1
27 16 25 1
28 25 26 1
29 26 27 1
30 27 28 1
31 28 29 1
32 29 30 1
33 26 30 1
|
|---|
