| Entry |
|
|---|
| Name |
Isatoribine (USAN);
Isatoribine monohydrate;
Immusine (TN) |
|---|
| Formula |
C10H12N4O6S. H2O
|
|---|
| Exact mass |
334.0583
|
|---|
| Mol weight |
334.31
|
|---|
| Structure |
|
|---|
| Efficacy |
Antiviral, Immunomodulator |
|---|
| Comment |
regulates cell growth by perturbing signal transduction
|
|---|
| 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
D04619 Isatoribine (USAN)
|
|---|
| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 22
1 O0 O 21.0521 -23.2984
2 C1y C 11.8300 -22.1200
3 C1y C 13.2300 -22.1200
4 C1y C 13.6500 -20.7900
5 O2x O 12.5300 -20.0200
6 C1y C 11.4100 -20.7900
7 N4x N 16.0300 -22.1900
8 C8y C 16.0300 -20.7900
9 N4y N 14.8400 -20.0900
10 C1b C 10.2200 -20.0900
11 O1a O 8.9600 -20.7900
12 O1a O 10.9900 -23.2400
13 C8y C 17.2200 -22.8900
14 N5x N 18.4100 -22.1900
15 C8y C 18.4100 -20.7900
16 C8y C 17.2200 -20.0900
17 C8y C 15.2600 -18.7600
18 S2x S 16.8000 -18.7600
19 N1a N 17.2200 -24.2900
20 O5x O 19.6700 -20.0900
21 O1a O 14.0576 -23.2492
22 O5x O 14.4324 -17.6308
BOND 23
1 2 3 1
2 3 4 1
3 4 5 1
4 5 6 1
5 2 6 1
6 7 8 1
7 8 9 1
8 4 9 1 #Up
9 6 10 1 #Up
10 10 11 1
11 2 12 1 #Down
12 7 13 1
13 13 14 2
14 14 15 1
15 15 16 1
16 8 16 2
17 9 17 1
18 16 18 1
19 17 18 1
20 13 19 1
21 15 20 2
22 3 21 1 #Down
23 17 22 2
|
|---|
