| Entry |
|
|---|
| Name |
Gamcemetinib (USAN) |
|---|
| Formula |
C22H20ClN5O3S
|
|---|
| Exact mass |
469.0975
|
|---|
| Mol weight |
469.94
|
|---|
| Structure |
|
|---|
| Efficacy |
Autoimmune disease treatment |
|---|
| Comment |
Treatment of autoimmune diseases (eg: ankylosing spondylitis, rheumatoid arthritis, psoriatic arthritis)
|
|---|
| Target |
|
|---|
| Pathway |
|
|---|
| Brite |
Target-based classification of drugs [BR:br08310]
Protein kinases
Serine/threonine kinases
CAMK group
MAPKAPK2
D12560 Gamcemetinib (USAN)
|
|---|
| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 32
1 C5x C 17.2446 -14.9953
2 C8y C 18.4856 -14.3561
3 C8y C 19.7669 -14.9218
4 N1x N 20.1192 -16.2666
5 N1x N 16.9765 -16.3785
6 C1x C 19.2880 -17.3963
7 C1y C 17.8873 -17.4422
8 C8y C 20.7008 -13.8780
9 C8y C 19.9967 -12.6673
10 S2x S 18.6277 -12.9628
11 C8y C 22.1008 -13.8737
12 C8y C 22.7970 -12.6591
13 C8x C 22.0929 -11.4483
14 C8x C 20.6929 -11.4527
15 C8x C 22.8045 -15.0839
16 C8x C 24.2045 -15.0796
17 C8y C 24.9008 -13.8650
18 N5x N 24.1970 -12.6547
19 O2a O 26.3200 -13.8606
20 C8y C 27.0235 -15.0704
21 N5x N 26.3350 -16.2710
22 C8y C 27.0386 -17.4814
23 N5x N 28.4386 -17.4772
24 C8x C 29.1270 -16.2766
25 C8y C 28.4235 -15.0663
26 X Cl 26.3297 -18.7180
27 C1b C 29.1261 -13.8411
28 O2a O 30.5198 -13.8372
29 C1b C 31.2066 -12.6399
30 C1a C 32.6196 -12.6357
31 O5x O 16.1014 -14.1381
32 C1a C 17.3332 -18.7011
BOND 36
1 3 4 1
2 1 5 1
3 4 6 1
4 2 3 2
5 5 7 1
6 1 2 1
7 6 7 1
8 3 8 1
9 8 9 2
10 9 10 1
11 2 10 1
12 8 11 1
13 11 12 1
14 12 13 1
15 13 14 2
16 9 14 1
17 11 15 2
18 15 16 1
19 16 17 2
20 17 18 1
21 12 18 2
22 17 19 1
23 19 20 1
24 20 21 2
25 21 22 1
26 22 23 2
27 23 24 1
28 24 25 2
29 20 25 1
30 22 26 1
31 25 27 1
32 27 28 1
33 28 29 1
34 29 30 1
35 1 31 2
36 7 32 1 #Up
|
|---|
