| Entry |
|
|---|
| Name |
Zimlovisertib (USAN) |
|---|
| Formula |
C18H20FN3O4
|
|---|
| Exact mass |
361.1438
|
|---|
| Mol weight |
361.37
|
|---|
| Structure |
|
|---|
| Efficacy |
Anti-inflammatory, Interleukin receptor associated kinase inhibitor |
|---|
| Comment |
Treatment of systemic lupus erythematosis (SLE), rheumatoid arthritis, COVID-19 associated pneumonia and acute respiratory distress syndrome (ARDS), hidradenitis suppurativa, and other conditions
|
|---|
| Target |
|
|---|
| Pathway |
| hsa04620 | Toll-like receptor signaling pathway |
| hsa04621 | NOD-like receptor signaling pathway |
|
|---|
| Brite |
Target-based classification of drugs [BR:br08310]
Protein kinases
Serine/threonine kinases
TKL group
IRAK4
D12167 Zimlovisertib (USAN)
|
|---|
| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 26
1 C8y C 14.2800 -13.7900
2 C8y C 14.2800 -12.3900
3 C8x C 13.0900 -11.6900
4 C8y C 11.8300 -12.3900
5 C8y C 11.8300 -13.7900
6 C8x C 13.0900 -14.4900
7 C8x C 10.6400 -11.6900
8 C8x C 9.4500 -12.3900
9 N5x N 9.4500 -13.7900
10 C8y C 10.6400 -14.4900
11 O2a O 10.6400 -15.8900
12 C1b C 9.4500 -16.5900
13 C1y C 9.4500 -17.9900
14 N1x N 8.3300 -18.8300
15 C5x C 8.7500 -20.0900
16 C1y C 10.1500 -20.0900
17 C1y C 10.5700 -18.8300
18 O5x O 7.9100 -21.2100
19 X F 10.9200 -21.2800
20 C1b C 11.9000 -18.3400
21 C1a C 12.9500 -19.3200
22 O2a O 15.4700 -14.4900
23 C1a C 16.6600 -13.7900
24 C5a C 15.4700 -11.6900
25 N1a N 16.6600 -12.3900
26 O5a O 15.4700 -10.2900
BOND 28
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 10 11 1
13 11 12 1
14 13 12 1 #Down
15 13 14 1
16 14 15 1
17 15 16 1
18 16 17 1
19 13 17 1
20 15 18 2
21 16 19 1 #Down
22 17 20 1 #Down
23 20 21 1
24 1 22 1
25 22 23 1
26 2 24 1
27 24 25 1
28 24 26 2
|
|---|
