| Entry |
|
|---|
| Name |
Ofirnoflast (USAN/INN) |
|---|
| Formula |
C23H19F4N7O2
|
|---|
| Exact mass |
501.1536
|
|---|
| Mol weight |
501.44
|
|---|
| Structure |
|
|---|
| Efficacy |
Anti-inflammatory, Serine/threonine kinase inhibitor |
|---|
| Comment |
Treatment of inflammatory conditions
|
|---|
| Target |
|
|---|
| Pathway |
| hsa04621 | NOD-like receptor signaling pathway |
|
|---|
| Brite |
Target-based classification of drugs [BR:br08310]
Protein kinases
Serine/threonine kinases
Other
NEK7
D13076 Ofirnoflast (USAN/INN)
|
|---|
| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 36
1 C8y C 26.2500 -15.2600
2 C8y C 26.2500 -16.6600
3 C8y C 27.4400 -17.3600
4 N5x N 28.7000 -16.6600
5 C8x C 28.7000 -15.2600
6 N5x N 27.4400 -14.5600
7 N4y N 24.9200 -14.8400
8 C8x C 24.0800 -15.9600
9 C8y C 24.9200 -17.0800
10 C1y C 24.5000 -13.5100
11 C8y C 24.5000 -18.4100
12 C8x C 23.1000 -18.6900
13 C8x C 22.6800 -20.0200
14 C8y C 23.6600 -21.0700
15 C8y C 24.9900 -20.7900
16 C8x C 25.4100 -19.4600
17 N1b N 23.2400 -22.4000
18 C5a C 21.8400 -22.6800
19 X F 25.9000 -21.8400
20 O5a O 20.9300 -21.6300
21 N1b N 21.4200 -24.0100
22 C8y C 20.0200 -24.2900
23 N5x N 18.9000 -23.4500
24 O2x O 17.7100 -24.2900
25 C8y C 18.1300 -25.6900
26 C8x C 19.6000 -25.6900
27 C1z C 17.2900 -26.8100
28 C1x C 16.5900 -28.0000
29 C1x C 17.9900 -28.0000
30 C1d C 16.3100 -25.8300
31 X F 14.9100 -25.8300
32 X F 16.3100 -24.4300
33 X F 16.3100 -27.2300
34 C1x C 23.4334 -12.6334
35 C1x C 24.7479 -12.1518
36 N1a N 27.4228 -18.7599
BOND 41
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 1 7 1
8 7 8 1
9 8 9 2
10 2 9 1
11 7 10 1
12 9 11 1
13 11 12 2
14 12 13 1
15 13 14 2
16 14 15 1
17 15 16 2
18 11 16 1
19 14 17 1
20 17 18 1
21 15 19 1
22 18 20 2
23 18 21 1
24 21 22 1
25 22 23 2
26 23 24 1
27 24 25 1
28 25 26 2
29 22 26 1
30 25 27 1
31 28 29 1
32 29 27 1
33 27 28 1
34 27 30 1
35 30 31 1
36 30 32 1
37 30 33 1
38 34 35 1
39 35 10 1
40 10 34 1
41 3 36 1
|
|---|
