| Entry |
|
|---|
| Name |
Zidesamtinib (USAN/INN) |
|---|
| Formula |
C22H22FN7O
|
|---|
| Exact mass |
419.1870
|
|---|
| Mol weight |
419.45
|
|---|
| Structure |
|
|---|
| Class |
Antineoplastic
DG01918 Tyrosine kinase inhibitor
|
|---|
| Efficacy |
Antineoplastic, Tyrosine kinase inhibitor |
|---|
| Target |
|
|---|
| Interaction |
|
|---|
| Brite |
Drug groups [BR:br08330]
Antineoplastic
DG01918 Tyrosine kinase inhibitor
D12899 Zidesamtinib
Target-based classification of drugs [BR:br08310]
Protein kinases
Receptor tyrosine kinases (RTK)
INSR family
ROS1
D12899 Zidesamtinib (USAN/INN)
|
|---|
| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 31
1 C8x C 14.2043 -20.4307
2 C8y C 14.2043 -21.8298
3 C8x C 15.3936 -22.5293
4 C8y C 16.6527 -21.8298
5 C8y C 16.6527 -20.4307
6 C8x C 15.3936 -19.7312
7 X F 13.0151 -22.5293
8 C8y C 17.8420 -19.7312
9 C8y C 19.2410 -19.7312
10 N5x N 19.6608 -18.4020
11 N4y N 18.5415 -17.5626
12 N5x N 17.4222 -18.4020
13 C1x C 20.0805 -20.8504
14 C1y C 17.8420 -22.5293
15 O2x O 17.8420 -23.9284
16 C1a C 19.0312 -21.8298
17 C8y C 19.0312 -24.6280
18 C8y C 19.7307 -25.8872
19 N5x N 21.1298 -25.8872
20 C8x C 21.8293 -24.6979
21 C8y C 21.1998 -23.4388
22 C8x C 19.8007 -23.4388
23 C8y C 21.4796 -20.8504
24 C8y C 21.8993 -22.1796
25 N4y N 23.2984 -22.1796
26 N5x N 23.7181 -20.8504
27 C8x C 22.5988 -20.0110
28 C1a C 18.5415 -16.1635
29 C1b C 24.1378 -23.2988
30 C1a C 25.5369 -23.2988
31 N1a N 18.9612 -27.0764
BOND 35
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 2 7 1
8 5 8 1
9 8 9 1
10 9 10 2
11 10 11 1
12 11 12 1
13 8 12 2
14 9 13 1
15 4 14 1
16 14 15 1
17 14 16 1 #Up
18 15 17 1
19 17 18 2
20 18 19 1
21 19 20 2
22 20 21 1
23 21 22 2
24 17 22 1
25 13 23 1
26 23 24 2
27 24 25 1
28 25 26 1
29 26 27 2
30 23 27 1
31 24 21 1
32 11 28 1
33 25 29 1
34 29 30 1
35 18 31 1
|
|---|
