| Entry |
|
|---|
| Name |
Aumolertinib (USAN/INN) |
|---|
| Formula |
C30H35N7O2
|
|---|
| Exact mass |
525.2852
|
|---|
| Mol weight |
525.64
|
|---|
| Structure |
|
|---|
| Class |
Antineoplastic
DG01918 Tyrosine kinase inhibitor
DG01917 Receptor tyrosine kinase inhibitor
DG03162 EGFR inhibitor
|
|---|
| Remark |
|
|---|
| Efficacy |
Antineoplastic |
|---|
| 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
D12258 Aumolertinib (USAN/INN)
Drug groups [BR:br08330]
Antineoplastic
DG01918 Tyrosine kinase inhibitor
DG01917 Receptor tyrosine kinase inhibitor
DG03162 EGFR inhibitor
DG03209 Aumolertinib
D12258 Aumolertinib
Target-based classification of drugs [BR:br08310]
Protein kinases
Receptor tyrosine kinases (RTK)
EGFR family
EGFR* [HSA_VAR:1956v2]
D12258 Aumolertinib (USAN/INN)
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 39
1 C8y C 20.1600 -25.9700
2 N5x N 20.1600 -27.3700
3 C8y C 21.3500 -28.0700
4 N5x N 22.6100 -27.3700
5 C8x C 22.6100 -25.9700
6 C8x C 21.3500 -25.2700
7 N1b N 21.3500 -29.4700
8 C8y C 22.5400 -30.1700
9 C8x C 22.5400 -31.5700
10 C8y C 23.8000 -32.2700
11 C8y C 24.9900 -31.5700
12 C8x C 24.9900 -30.1700
13 C8y C 23.8000 -29.4700
14 O2a O 23.8000 -28.0700
15 C1a C 24.9900 -27.3700
16 N1c N 26.1800 -32.2700
17 C1b C 27.3700 -31.5700
18 C1b C 28.5600 -32.2700
19 N1c N 29.7500 -31.5700
20 C1a C 30.9400 -32.2700
21 C1a C 29.7500 -30.1700
22 C1a C 26.1800 -33.6700
23 N1b N 23.8000 -33.6700
24 C5a C 22.6100 -34.3700
25 C2b C 21.4200 -33.6700
26 C2a C 20.2300 -34.3700
27 O5a O 22.6100 -35.7700
28 C8y C 18.9700 -25.2700
29 C8x C 18.9700 -23.8700
30 N4y N 17.7100 -23.3800
31 C8y C 16.8000 -24.5000
32 C8y C 17.6400 -25.6900
33 C1y C 17.2900 -22.0500
34 C1x C 16.2242 -21.1156
35 C1x C 17.5622 -20.6749
36 C8x C 15.4058 -24.6273
37 C8x C 14.8190 -25.8984
38 C8x C 15.6590 -27.0884
39 C8x C 17.0532 -26.9611
BOND 43
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
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|---|
