| Entry |
|
|---|
| Name |
Guretolimod (USAN/INN) |
|---|
| Formula |
C24H34F3N5O4
|
|---|
| Exact mass |
513.2563
|
|---|
| Mol weight |
513.55
|
|---|
| Structure |
|
|---|
| Efficacy |
Antineoplastic, 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
D12453 Guretolimod (USAN/INN)
|
|---|
| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 36
1 C8y C 10.6400 -13.7900
2 N5x N 10.6400 -15.1900
3 C8y C 11.8524 -15.8900
4 C8y C 13.0649 -15.1900
5 C8y C 13.0649 -13.7900
6 N5x N 11.8524 -13.0900
7 C1b C 14.2960 -15.9010
8 C8y C 15.5012 -15.2053
9 C8y C 16.6835 -15.8881
10 C8x C 17.8960 -15.1883
11 C8y C 17.8962 -13.7883
12 C8x C 16.7138 -13.1055
13 C8x C 15.5013 -13.8053
14 N1a N 9.4276 -13.0900
15 C1a C 11.8524 -17.2898
16 N1b N 14.2960 -13.0790
17 C1c C 14.3088 -11.6903
18 C1b C 15.5057 -11.0136
19 C1b C 16.7262 -11.7335
20 O1a O 17.9366 -11.0500
21 C1b C 13.0815 -10.9664
22 C1b C 11.8591 -11.6570
23 C1a C 10.6468 -10.9416
24 O2a O 16.6834 -17.2898
25 C1a C 15.4534 -18.0000
26 C1b C 19.1256 -13.0784
27 N1c N 20.3313 -13.7745
28 C1b C 21.5135 -13.0919
29 C1b C 20.3316 -15.1896
30 C6a C 21.5204 -15.8760
31 O6a O 22.7039 -15.1925
32 O6a O 21.5208 -17.2897
33 C1d C 21.5136 -11.6902
34 X F 22.9136 -11.6902
35 X F 20.1136 -11.6902
36 X F 21.5136 -10.2902
BOND 37
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 1
9 8 9 2
10 9 10 1
11 10 11 2
12 11 12 1
13 12 13 2
14 8 13 1
15 1 14 1
16 3 15 1
17 5 16 1
18 17 16 1 #Up
19 17 18 1
20 18 19 1
21 19 20 1
22 17 21 1
23 21 22 1
24 22 23 1
25 9 24 1
26 24 25 1
27 11 26 1
28 26 27 1
29 27 28 1
30 27 29 1
31 29 30 1
32 30 31 1
33 30 32 2
34 28 33 1
35 33 34 1
36 33 35 1
37 33 36 1
|
|---|
