| Entry |
|
|---|
| Name |
Firmonertinib mesylate (USAN) |
|---|
| Formula |
C28H31F3N8O2. CH4SO3
|
|---|
| Exact mass |
664.2403
|
|---|
| Mol weight |
664.70
|
|---|
| Structure |
|
|---|
| Class |
Antineoplastic
DG01918 Tyrosine kinase inhibitor
DG01917 Receptor tyrosine kinase inhibitor
|
|---|
| Remark |
|
|---|
| Efficacy |
Antineoplastic, Receptor tyrosine kinase inhibitor |
|---|
| Target |
|
|---|
| Pathway |
|
|---|
| Interaction |
|
|---|
| Brite |
Drug groups [BR:br08330]
Antineoplastic
DG01918 Tyrosine kinase inhibitor
DG01917 Receptor tyrosine kinase inhibitor
DG03322 Firmonertinib
D12957 Firmonertinib mesylate
Target-based classification of drugs [BR:br08310]
Protein kinases
Receptor tyrosine kinases (RTK)
EGFR family
EGFR* [HSA_VAR:1956v2]
D12957 Firmonertinib mesylate (USAN)
Drug groups [BR:br08330]
Antineoplastic
DG01918 Tyrosine kinase inhibitor
DG01917 Receptor tyrosine kinase inhibitor
DG03322 Firmonertinib
|
|---|
| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 46
1 C8y C 15.8162 -12.8752
2 N5x N 15.8162 -14.2749
3 C8y C 17.0060 -14.9748
4 N5x N 18.2658 -14.2749
5 C8x C 18.2658 -12.8752
6 C8x C 17.0060 -12.1753
7 N1b N 17.0060 -16.3746
8 C8y C 18.1958 -17.0745
9 C8x C 18.1958 -18.4742
10 C8y C 19.4556 -19.1741
11 C8y C 20.6454 -18.4742
12 N5x N 20.6454 -17.0745
13 C8y C 19.4556 -16.3746
14 N1b N 19.4556 -20.5739
15 C5a C 18.2658 -21.2738
16 C2b C 17.0760 -20.5739
17 C2a C 15.8862 -21.2738
18 O5a O 18.2658 -22.6735
19 C8y C 14.6264 -12.1753
20 C8x C 14.4864 -10.7755
21 N4y N 13.0866 -10.4956
22 C8y C 12.3868 -11.6854
23 C8y C 13.2966 -12.7352
24 C8x C 11.0570 -11.9653
25 C8x C 10.5671 -13.2951
26 C8x C 11.5469 -14.3449
27 C8x C 12.8767 -14.0650
28 C1a C 12.5267 -9.2358
29 O2a O 19.4556 -14.9748
30 C1b C 20.6454 -14.2749
31 C1d C 21.8352 -14.9748
32 X F 23.0950 -15.6747
33 X F 22.5351 -13.7150
34 X F 21.1353 -16.1646
35 N1c N 21.9052 -19.1041
36 C1b C 23.0950 -18.4042
37 C1a C 21.9052 -20.5739
38 C1b C 24.2848 -19.1041
39 N1c N 25.4746 -18.4042
40 C1a C 26.6644 -19.1041
41 C1a C 25.4746 -17.0045
42 S4a S 25.8300 -10.4300
43 O1d O 25.8300 -11.8300
44 O1d O 25.8300 -9.0300
45 C1a C 24.4300 -10.4300
46 O1d O 27.2300 -10.4300
BOND 48
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 3 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 10 14 1
16 14 15 1
17 15 16 1
18 16 17 2
19 15 18 2
20 1 19 1
21 19 20 2
22 20 21 1
23 21 22 1
24 22 23 1
25 19 23 1
26 22 24 2
27 24 25 1
28 25 26 2
29 26 27 1
30 23 27 2
31 21 28 1
32 13 29 1
33 29 30 1
34 30 31 1
35 31 32 1
36 31 33 1
37 31 34 1
38 35 36 1
39 35 37 1
40 36 38 1
41 38 39 1
42 39 40 1
43 39 41 1
44 35 11 1
45 42 43 2
46 42 44 2
47 42 45 1
48 42 46 1
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