| Entry |
|
|---|
| Name |
Enpatoran (USAN/INN) |
|---|
| Formula |
C16H15F3N4
|
|---|
| Exact mass |
320.1249
|
|---|
| Mol weight |
320.31
|
|---|
| Structure |
|
|---|
| Efficacy |
Antiviral, Autoimmune disease treatment, Toll-like receptor antagonist |
|---|
| Comment |
Treatment of COVID-19, systemic lupus erythematosus (SLE), cutaneous lupus erythematosus (CLE)
|
|---|
| 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
D12261 Enpatoran (USAN/INN)
TLR8 (CD288)
D12261 Enpatoran (USAN/INN)
|
|---|
| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 23
1 C8x C 13.3000 -14.3500
2 C8x C 13.3000 -15.7500
3 C8y C 14.5124 -16.4500
4 C8y C 15.7249 -15.7500
5 C8y C 15.7249 -14.3500
6 C8y C 14.5124 -13.6500
7 C8x C 16.9373 -16.4500
8 C8x C 18.1497 -15.7500
9 C8x C 18.1497 -14.3500
10 N5x N 16.9373 -13.6500
11 C3b C 14.5124 -12.2500
12 N3a N 14.5124 -10.8500
13 N1y N 14.5124 -17.8498
14 C1x C 13.2832 -18.5597
15 C1y C 13.2834 -19.9597
16 C1x C 14.4959 -20.6596
17 C1y C 15.7251 -19.9497
18 C1x C 15.7249 -18.5497
19 C1d C 12.0877 -20.6502
20 N1a N 16.9563 -20.6606
21 X F 10.8752 -21.3502
22 X F 11.3877 -19.4378
23 X F 12.7877 -21.8626
BOND 25
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 2
9 8 9 1
10 9 10 2
11 5 10 1
12 6 11 1
13 11 12 3
14 3 13 1
15 13 14 1
16 14 15 1
17 15 16 1
18 16 17 1
19 17 18 1
20 13 18 1
21 15 19 1 #Down
22 17 20 1 #Down
23 19 21 1
24 19 22 1
25 19 23 1
|
|---|
