| Entry |
|
|---|
| Name |
Aumolertinib mesylate (USAN) |
|---|
| Formula |
C30H35N7O2. CH4SO3
|
|---|
| Exact mass |
621.2733
|
|---|
| Mol weight |
621.75
|
|---|
| Structure |
|
|---|
| Class |
Antineoplastic
DG01918 Tyrosine kinase inhibitor
DG01917 Receptor tyrosine kinase inhibitor
DG03162 EGFR inhibitor
|
|---|
| Remark |
|
|---|
| Efficacy |
Antineoplastic, Receptor tyrosine kinase inhibitor |
|---|
| Target |
|
|---|
| Pathway |
| hsa01521 | EGFR tyrosine kinase inhibitor resistance |
|
|---|
| Interaction |
|
|---|
| Brite |
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
L ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
L01 ANTINEOPLASTIC AGENTS
L01E PROTEIN KINASE INHIBITORS
L01EB Epidermal growth factor receptor (EGFR) tyrosine kinase inhibitors
L01EB11 Aumolertinib
D12259 Aumolertinib mesylate (USAN)
Drug groups [BR:br08330]
Antineoplastic
DG01918 Tyrosine kinase inhibitor
DG01917 Receptor tyrosine kinase inhibitor
DG03162 EGFR inhibitor
DG03209 Aumolertinib
D12259 Aumolertinib mesylate
Target-based classification of drugs [BR:br08310]
Protein kinases
Receptor tyrosine kinases (RTK)
EGFR family
EGFR* [HSA_VAR:1956v2]
D12259 Aumolertinib mesylate (USAN)
Drug groups [BR:br08330]
Antineoplastic
DG01918 Tyrosine kinase inhibitor
DG01917 Receptor tyrosine kinase inhibitor
DG03162 EGFR inhibitor
DG03209 Aumolertinib
|
|---|
| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 44
1 C8y C 15.8983 -13.9365
2 N5x N 15.8983 -15.3370
3 C8y C 17.0887 -16.0373
4 N5x N 18.3492 -15.3370
5 C8x C 18.3492 -13.9365
6 C8x C 17.0887 -13.2363
7 N1b N 17.0887 -17.4377
8 C8y C 18.2792 -18.1380
9 C8x C 18.2792 -19.5385
10 C8y C 19.5396 -20.2387
11 C8y C 20.7300 -19.5385
12 C8x C 20.7300 -18.1380
13 C8y C 19.5396 -17.4377
14 O2a O 19.5396 -16.0373
15 C1a C 20.7300 -15.3370
16 N1c N 21.9204 -20.2387
17 C1b C 23.1109 -19.5385
18 C1b C 24.3013 -20.2387
19 N1c N 25.4917 -19.5385
20 C1a C 26.6821 -20.2387
21 C1a C 25.4917 -18.1380
22 C1a C 21.9204 -21.6392
23 N1b N 19.5396 -21.6392
24 C5a C 18.3492 -22.3395
25 C2b C 17.1588 -21.6392
26 C2a C 15.9683 -22.3395
27 O5a O 18.3492 -23.7400
28 C8y C 14.7079 -13.2363
29 C8x C 14.7079 -11.8358
30 N4y N 13.4475 -11.3456
31 C8y C 12.5371 -12.4660
32 C8y C 13.3774 -13.6564
33 C1y C 13.0273 -10.0151
34 C1x C 11.9769 -9.1048
35 C1x C 13.3074 -8.6146
36 C8x C 11.1366 -12.6060
37 C8x C 10.5764 -13.8665
38 C8x C 11.4167 -15.0569
39 C8x C 12.8172 -14.9169
40 S4a S 24.7100 -10.9200
41 O1d O 24.7100 -9.5200
42 O1d O 24.7100 -12.3200
43 O1d O 26.1100 -10.9200
44 C1a C 23.3100 -10.9200
BOND 47
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 13 14 1
16 14 15 1
17 11 16 1
18 16 17 1
19 17 18 1
20 18 19 1
21 19 20 1
22 19 21 1
23 16 22 1
24 10 23 1
25 23 24 1
26 24 25 1
27 25 26 2
28 24 27 2
29 1 28 1
30 28 29 2
31 29 30 1
32 30 31 1
33 31 32 1
34 28 32 1
35 30 33 1
36 35 34 1
37 34 33 1
38 33 35 1
39 31 36 2
40 36 37 1
41 37 38 2
42 38 39 1
43 32 39 2
44 40 41 2
45 40 42 2
46 40 43 1
47 40 44 1
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