Entry |
|
Name |
Avutometinib (USAN/INN) |
Formula |
C21H18FN5O5S
|
Exact mass |
471.1013
|
Mol weight |
471.4615
|
Structure |
|
Class |
Antineoplastic
DG03137 MEK inhibitor
|
Remark |
|
Efficacy |
Antineoplastic, Tyrosine kinase inhibitoer |
Target |
|
Pathway |
|
Brite |
Drug groups [BR:br08330]
Antineoplastic
DG03137 MEK inhibitor
DG03255 Avutometinib
D12515 Avutometinib
Target-based classification of drugs [BR:br08310]
Protein kinases
Serine/threonine kinases
STE group
MAP2K1 (MEK1)
D12515 Avutometinib (USAN/INN)
MAP2K2 (MEK2)
D12515 Avutometinib (USAN/INN)
TKL group
RAF1
D12515 Avutometinib (USAN/INN)
Drug groups [BR:br08330]
Antineoplastic
DG03137 MEK inhibitor
DG03255 Avutometinib
|
Other DBs |
|
LinkDB |
|
KCF data |
ATOM 33
1 C8x C 6.7900 -11.6900
2 C8x C 6.7900 -13.0900
3 C8x C 8.0024 -13.7900
4 N5x N 9.2149 -13.0900
5 C8y C 9.2149 -11.6900
6 N5x N 8.0024 -10.9900
7 O2a O 10.4460 -10.9790
8 C8y C 11.6512 -11.6747
9 C8x C 11.6516 -13.0896
10 C8x C 12.8642 -13.7893
11 C8y C 14.0765 -13.0889
12 C8y C 14.0760 -11.6739
13 C8x C 12.8634 -10.9743
14 C8y C 15.2891 -13.7885
15 C8y C 16.5013 -13.0882
16 C8y C 16.5009 -11.6732
17 O7x O 15.2883 -10.9736
18 C1b C 17.7287 -13.7964
19 C8y C 18.9296 -13.1026
20 O6a O 17.7199 -10.9688
21 C1a C 15.2895 -15.1897
22 C8y C 20.1146 -13.7863
23 C8y C 21.3268 -13.0859
24 N5x N 21.3264 -11.6859
25 C8x C 20.1415 -11.0022
26 C8x C 18.9292 -11.7026
27 N1b N 22.5585 -13.7968
28 S4a S 23.7597 -13.1028
29 N1b N 24.9445 -13.7865
30 C1a C 26.1368 -13.0976
31 X F 20.1150 -15.1898
32 O3c O 23.0597 -11.8904
33 O3c O 24.4597 -11.8904
BOND 36
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 5 7 1
8 7 8 1
9 8 9 2
10 9 10 1
11 10 11 2
12 11 12 1
13 12 13 2
14 8 13 1
15 11 14 1
16 14 15 2
17 15 16 1
18 16 17 1
19 12 17 1
20 15 18 1
21 18 19 1
22 16 20 2
23 14 21 1
24 19 22 2
25 22 23 1
26 23 24 2
27 24 25 1
28 25 26 2
29 19 26 1
30 23 27 1
31 27 28 1
32 28 29 1
33 29 30 1
34 22 31 1
35 28 32 2
36 28 33 2
|