Entry |
|
Name |
Ocadusertib (USAN) |
Formula |
C25H25N5O4
|
Exact mass |
459.1907
|
Mol weight |
459.50
|
Structure |
|
Efficacy |
Autoimmune disease treatment |
Comment |
Treatment of autoimmune and inflammatory diseases, such as, psoriasis, rheumatoid arthritis or inflammatory bowel diseases
|
Target |
|
Pathway |
hsa04620 | Toll-like receptor signaling pathway |
hsa04621 | NOD-like receptor signaling pathway |
hsa04622 | RIG-I-like receptor signaling pathway |
|
Brite |
Target-based classification of drugs [BR:br08310]
Protein kinases
Serine/threonine kinases
TKL group
RIPK1
D12846 Ocadusertib (USAN)
|
Other DBs |
|
LinkDB |
|
KCF data |
ATOM 34
1 C8x C 11.9000 -12.8100
2 C8y C 11.9000 -14.2100
3 C8x C 13.0900 -14.9100
4 C8y C 14.3500 -14.2100
5 C8y C 14.3500 -12.8100
6 C8x C 13.0900 -12.1100
7 O2x O 15.4700 -11.9000
8 C1x C 16.8000 -12.2500
9 C1y C 17.4300 -13.5100
10 C5x C 16.8000 -14.7700
11 N1y N 15.4700 -15.0500
12 O5x O 17.6400 -15.8900
13 N1b N 18.8300 -13.5100
14 C5a C 19.5300 -12.3200
15 O5a O 18.8300 -11.1300
16 C3b C 10.7100 -14.9100
17 C3b C 9.4500 -15.6100
18 C1d C 8.2600 -16.3100
19 O1a O 7.0700 -17.0100
20 C1a C 8.9600 -17.5000
21 C1a C 7.5600 -15.1200
22 C1a C 15.1900 -16.4500
23 C8y C 20.9300 -12.3200
24 N4x N 21.7700 -13.4400
25 C8y C 23.1000 -13.0200
26 N5x N 23.1000 -11.6200
27 N5x N 21.7700 -11.2000
28 C1b C 24.2900 -13.7200
29 C8y C 25.4800 -13.0200
30 C8x C 26.6700 -13.7200
31 C8x C 27.9300 -13.0200
32 C8x C 27.9300 -11.6200
33 C8x C 26.7400 -10.8500
34 C8x C 25.4800 -11.6200
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 8 9 1
8 9 10 1
9 7 8 1
10 4 11 1
11 5 7 1
12 10 11 1
13 10 12 2
14 9 13 1 #Down
15 13 14 1
16 14 15 2
17 2 16 1
18 16 17 3
19 17 18 1
20 18 19 1
21 18 20 1
22 18 21 1
23 11 22 1
24 14 23 1
25 23 24 1
26 24 25 1
27 25 26 2
28 26 27 1
29 23 27 2
30 28 25 1
31 28 29 1
32 29 30 2
33 30 31 1
34 31 32 2
35 32 33 1
36 33 34 2
37 29 34 1
|