| Entry |
|
|---|
| Name |
Ropsacitinib (USAN) |
|---|
| Formula |
C20H17N9
|
|---|
| Exact mass |
383.1607
|
|---|
| Mol weight |
383.41
|
|---|
| Structure |
|
|---|
| Efficacy |
Anti-inflammatory, Tyrosine kinase 2 inhibitor |
|---|
| Comment |
Treatment of plaque psoriasis and inflammatory bowel disease
|
|---|
| Target |
|
|---|
| Pathway |
|
|---|
| Brite |
Target-based classification of drugs [BR:br08310]
Protein kinases
Non-receptor tyrosine kinases
JAK family
TYK2
D12056 Ropsacitinib (USAN)
|
|---|
| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 29
1 C8y C 13.0900 -14.3500
2 N5x N 13.0900 -15.7500
3 C8y C 14.3024 -16.4500
4 C8y C 15.5149 -15.7500
5 N4y N 15.5149 -14.3500
6 C8x C 14.3024 -13.6500
7 C8x C 16.8464 -16.1826
8 C8x C 17.6693 -15.0500
9 N5x N 16.8464 -13.9174
10 C8y C 11.8776 -13.6500
11 C8x C 11.7315 -12.2602
12 N5x N 10.3646 -11.9696
13 N4y N 9.6658 -13.1798
14 C8x C 10.6009 -14.2184
15 C1a C 8.2699 -13.3265
16 C8y C 14.3024 -17.8498
17 C8x C 13.1552 -18.6835
18 N4y N 13.5936 -20.0323
19 N5x N 15.0118 -20.0321
20 C8x C 15.4499 -18.6833
21 C1z C 12.7720 -21.1633
22 C1x C 11.3620 -21.3874
23 C1y C 11.5861 -22.7974
24 C1x C 12.9961 -22.5733
25 C1b C 14.0979 -21.4808
26 C3b C 14.4966 -22.8234
27 N3a N 14.8589 -24.1757
28 C3b C 10.7651 -23.9286
29 N3a N 10.0651 -25.1411
BOND 33
1 1 2 1
2 2 3 2
3 3 4 1
4 4 5 1
5 5 6 1
6 1 6 2
7 4 7 2
8 7 8 1
9 8 9 2
10 5 9 1
11 1 10 1
12 10 11 1
13 11 12 2
14 12 13 1
15 13 14 1
16 10 14 2
17 13 15 1
18 3 16 1
19 16 17 2
20 17 18 1
21 18 19 1
22 19 20 2
23 16 20 1
24 21 18 1 #Down
25 21 22 1
26 22 23 1
27 23 24 1
28 21 24 1
29 21 25 1 #Up
30 25 26 1
31 26 27 3
32 28 23 1 #Up
33 28 29 3
|
|---|
