| Entry |
|
|---|
| Name |
Zunsemetinib (USAN) |
|---|
| Formula |
C25H22ClF2N5O3
|
|---|
| Exact mass |
513.1379
|
|---|
| Mol weight |
513.92
|
|---|
| Structure |
|
|---|
| Efficacy |
Anti-inflammatory disease |
|---|
| Comment |
Treatment of chronic immuno-inflammatory diseases
|
|---|
| Target |
|
|---|
| Pathway |
| hsa04625 | C-type lectin receptor signaling pathway |
|
|---|
| Brite |
Target-based classification of drugs [BR:br08310]
Protein kinases
Serine/threonine kinases
CAMK group
MAPKAPK2
D12237 Zunsemetinib (USAN)
|
|---|
| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 36
1 C8y C 12.7400 -13.3000
2 N5x N 12.7400 -14.7000
3 C8x C 13.9524 -15.4000
4 C8x C 15.1649 -14.7000
5 C8y C 15.1649 -13.3000
6 N5x N 13.9524 -12.6000
7 C1d C 11.5276 -12.6000
8 O1a O 10.3151 -11.9000
9 C1a C 12.2276 -11.3876
10 C1a C 10.8276 -13.8124
11 C8y C 16.3960 -12.5890
12 C8x C 17.6012 -13.2847
13 C8y C 18.8135 -12.5846
14 C8y C 18.8135 -11.1846
15 C8x C 17.6083 -10.4889
16 N5x N 16.3959 -11.1890
17 C1a C 20.0314 -10.4812
18 N4y N 20.0451 -13.2954
19 C8y C 20.0453 -14.6998
20 C8x C 21.2579 -15.3996
21 C8y C 22.4702 -14.6993
22 C8y C 22.4699 -13.2950
23 C8y C 21.2574 -12.5952
24 O5x O 21.2572 -11.2002
25 X Cl 23.6801 -12.5960
26 C1a C 18.8141 -15.4112
27 O2a O 23.6829 -15.3992
28 C1b C 24.8776 -14.7090
29 C8y C 26.0656 -15.3946
30 C8y C 26.0659 -16.7998
31 C8x C 27.2786 -17.4994
32 C8y C 28.4908 -16.7991
33 C8x C 28.4904 -15.3939
34 N5x N 27.2778 -14.6942
35 X F 24.8343 -17.5115
36 X F 29.7032 -17.4987
BOND 39
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 7 9 1
10 7 10 1
11 5 11 1
12 11 12 2
13 12 13 1
14 13 14 2
15 14 15 1
16 15 16 2
17 11 16 1
18 14 17 1
19 13 18 1
20 18 19 1
21 19 20 2
22 20 21 1
23 21 22 2
24 22 23 1
25 18 23 1
26 23 24 2
27 22 25 1
28 19 26 1
29 21 27 1
30 27 28 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
38 30 35 1
39 32 36 1
|
|---|
