| Entry |
|
|---|
| Name |
Loxoribine (USAN/INN) |
|---|
| Formula |
C13H17N5O6
|
|---|
| Exact mass |
339.1179
|
|---|
| Mol weight |
339.30
|
|---|
| Structure |
|
|---|
| Simcomp |
|
|---|
| Efficacy |
Antiviral, Immunostimulant, Vaccine adjuvant |
|---|
| 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
D04787 Loxoribine (USAN/INN)
|
|---|
| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 24
1 C1y C 31.7800 -24.9200
2 C1y C 33.1800 -24.9200
3 C1y C 33.6000 -23.5900
4 O2x O 32.4800 -22.8200
5 C1y C 31.3600 -23.5900
6 N5x N 35.9800 -24.9900
7 C8y C 35.9800 -23.5900
8 N4y N 34.7900 -22.8900
9 C1b C 30.1700 -22.8900
10 O1a O 28.9100 -23.5900
11 O1a O 30.9400 -26.0400
12 C8y C 37.1700 -25.6900
13 N4x N 38.3600 -24.9900
14 C8y C 38.3600 -23.5900
15 C8y C 37.1700 -22.8900
16 C8y C 35.2100 -21.5600
17 N4y N 36.7500 -21.5600
18 N1a N 37.1700 -27.0900
19 O1a O 34.0076 -26.0492
20 O5x O 34.3824 -20.4308
21 C1b C 37.5776 -20.4308
22 C2b C 38.9825 -20.5843
23 C2a C 39.8147 -19.4487
24 O5x O 39.5753 -22.8949
BOND 26
1 1 2 1
2 2 3 1
3 3 4 1
4 4 5 1
5 1 5 1
6 6 7 1
7 7 8 1
8 3 8 1 #Up
9 5 9 1 #Up
10 9 10 1
11 1 11 1 #Down
12 6 12 2
13 12 13 1
14 13 14 1
15 14 15 1
16 7 15 2
17 8 16 1
18 15 17 1
19 16 17 1
20 12 18 1
21 2 19 1 #Down
22 16 20 2
23 17 21 1
24 21 22 1
25 22 23 2
26 14 24 2
|
|---|
