| Entry |
|
|---|
| Name |
Ruzotolimod (USAN/INN) |
|---|
| Formula |
C14H18N4O5S
|
|---|
| Exact mass |
354.0998
|
|---|
| Mol weight |
354.38
|
|---|
| Structure |
|
|---|
| Efficacy |
Antiviral, Antineoplastic, Toll-like receptor agonist |
|---|
| Comment |
Treatment of chronic viral infections, cancer, and autoimmune disorders
|
|---|
| Target |
|
|---|
| Pathway |
| hsa04613 | Neutrophil extracellular trap formation |
| hsa04620 | Toll-like receptor signaling pathway |
|
|---|
| Brite |
Target-based classification of drugs [BR:br08310]
Signaling molecules and receptors
Pattern recognition receptors
Toll-like receptors
TLR7
D12521 Ruzotolimod (USAN/INN)
|
|---|
| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 24
1 S2x S 16.3100 -12.8800
2 C8y C 16.7300 -14.2800
3 C8y C 15.6100 -15.1200
4 N4y N 14.4200 -14.2100
5 C8y C 14.9100 -12.8800
6 O5x O 14.0700 -11.7600
7 C8x C 17.9900 -14.7700
8 N5x N 18.1300 -16.1700
9 C8y C 17.0100 -17.0100
10 N5x N 15.7500 -16.4500
11 N1a N 17.1500 -18.4100
12 C1y C 13.0900 -14.6300
13 O2x O 12.0400 -13.7900
14 C1y C 10.8500 -14.5600
15 C1x C 11.2700 -15.9600
16 C1y C 12.7400 -15.9600
17 C1c C 9.6600 -15.1900
18 O7a O 8.4700 -14.5600
19 C7a C 7.2800 -15.3300
20 C1a C 7.2800 -16.8000
21 O6a O 6.0200 -14.7700
22 C1b C 9.6600 -16.5900
23 C1a C 8.6100 -17.3600
24 O1a O 13.5100 -17.0800
BOND 26
1 1 2 1
2 2 3 1
3 3 4 1
4 4 5 1
5 1 5 1
6 5 6 2
7 2 7 2
8 7 8 1
9 8 9 2
10 9 10 1
11 3 10 2
12 9 11 1
13 12 4 1 #Up
14 12 13 1
15 13 14 1
16 14 15 1
17 15 16 1
18 12 16 1
19 17 18 1
20 17 14 1
21 18 19 1
22 19 20 1
23 19 21 2
24 17 22 1 #Down
25 22 23 1
26 16 24 1 #Down
|
|---|
