| Entry |
|
|---|
| Name |
Ralimetinib (USAN/INN) |
|---|
| Formula |
C24H29FN6
|
|---|
| Exact mass |
420.2438
|
|---|
| Mol weight |
420.5257
|
|---|
| Structure |
|
|---|
| Simcomp |
|
|---|
| Remark |
|
|---|
| Efficacy |
Antineoplastic, Mitogen-activated protein kinase inhibitor |
|---|
| Target |
|
|---|
| Brite |
Target-based classification of drugs [BR:br08310]
Protein kinases
Serine/threonine kinases
CMGC group
P38
D10658 Ralimetinib (USAN/INN)
|
|---|
| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 31
1 C8x C 18.2769 -13.3761
2 C8y C 18.2769 -14.7769
3 N5x N 19.4900 -15.4773
4 C8y C 20.7032 -14.7769
5 C8y C 20.7032 -13.3761
6 C8x C 19.4900 -12.6757
7 N4y N 22.0354 -15.2097
8 C8y C 22.8588 -14.0765
9 N5x N 22.0354 -12.9433
10 C8y C 17.0638 -15.4773
11 C8y C 17.0638 -16.8781
12 N4x N 15.7315 -15.0444
13 C8y C 14.9082 -16.1777
14 N5x N 15.7315 -17.3109
15 C8y C 18.2769 -17.5785
16 C8x C 18.2769 -18.9793
17 C8x C 19.4900 -19.6797
18 C8y C 20.7032 -18.9793
19 C8x C 20.7032 -17.5785
20 C8x C 19.4900 -16.8781
21 X F 21.9163 -19.6797
22 C1d C 13.5074 -16.1777
23 C1a C 13.5074 -14.7769
24 C1a C 13.5074 -17.5785
25 C1a C 12.1066 -16.1777
26 N1a N 24.2596 -14.0765
27 C1b C 22.3979 -16.5628
28 C1d C 23.7510 -16.9254
29 C1a C 23.3185 -18.3485
30 C1a C 24.1136 -15.5724
31 C1a C 25.1041 -17.2880
BOND 34
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 4 7 1
8 7 8 1
9 8 9 2
10 5 9 1
11 2 10 1
12 10 11 2
13 10 12 1
14 12 13 1
15 13 14 2
16 11 14 1
17 11 15 1
18 15 16 2
19 16 17 1
20 17 18 2
21 18 19 1
22 19 20 2
23 15 20 1
24 18 21 1
25 13 22 1
26 22 23 1
27 22 24 1
28 22 25 1
29 8 26 1
30 7 27 1
31 27 28 1
32 28 29 1
33 28 30 1
34 28 31 1
|
|---|
