| Entry |
|
|---|
| Name |
Naquotinib (USAN/INN) |
|---|
| Formula |
C30H42N8O3
|
|---|
| Exact mass |
562.3380
|
|---|
| Mol weight |
562.71
|
|---|
| Structure |
|
|---|
| Simcomp |
|
|---|
| Class |
Antineoplastic
DG01918 Tyrosine kinase inhibitor
DG01917 Receptor tyrosine kinase inhibitor
|
|---|
| Remark |
|
|---|
| Efficacy |
Antineoplastic, Receptor tyrosine kinase inhibitor |
|---|
| Comment |
Treatment of advanced non-small cell lung cancer
|
|---|
| Target |
|
|---|
| Pathway |
|
|---|
| Interaction |
|
|---|
| Brite |
Drug groups [BR:br08330]
Antineoplastic
DG01918 Tyrosine kinase inhibitor
DG01917 Receptor tyrosine kinase inhibitor
DG03112 Naquotinib
D10958 Naquotinib
Target-based classification of drugs [BR:br08310]
Protein kinases
Receptor tyrosine kinases (RTK)
EGFR family
EGFR
D10958 Naquotinib (USAN/INN)
Drug groups [BR:br08330]
Antineoplastic
DG01918 Tyrosine kinase inhibitor
DG01917 Receptor tyrosine kinase inhibitor
DG03112 Naquotinib
|
|---|
| Other DBs |
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| LinkDB |
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|---|
| KCF data |
ATOM 41
1 C1x C 10.3417 -19.9937
2 N1y N 10.3417 -18.5954
3 C1x C 9.1532 -17.8963
4 C1x C 7.8947 -18.5954
5 N1y N 7.8947 -19.9937
6 C1x C 9.1532 -20.6928
7 C1a C 6.7062 -20.6928
8 C1y C 11.5303 -17.8963
9 C1x C 12.7188 -18.5954
10 C1x C 13.9772 -17.8963
11 N1y N 13.9772 -16.4980
12 C1x C 12.7887 -15.7989
13 C1x C 11.5303 -16.4980
14 C8y C 15.1658 -15.7989
15 C8x C 16.3543 -16.4980
16 C8x C 17.6128 -15.7989
17 C8y C 17.6128 -14.4006
18 C8x C 16.4242 -13.7015
19 C8x C 15.1658 -14.4006
20 N1b N 18.8013 -13.7015
21 C8y C 19.9898 -14.4006
22 N5x N 19.9898 -15.7989
23 C8y C 21.2483 -16.4980
24 C8y C 22.4368 -15.7989
25 N5x N 22.4368 -14.4006
26 C8y C 21.2483 -13.7015
27 C5a C 21.2483 -12.3032
28 N1a N 22.5067 -11.6040
29 O5a O 20.0597 -11.6040
30 C1b C 23.6253 -16.4980
31 C1a C 24.8139 -15.7989
32 O2a O 21.2483 -17.8963
33 C1y C 22.5067 -18.5954
34 C1x C 23.8351 -18.1060
35 N1y N 24.6740 -19.2247
36 C1x C 23.9050 -20.3433
37 C1x C 22.5067 -19.9937
38 C5a C 26.0723 -19.2247
39 O5a O 26.7715 -18.0361
40 C2b C 26.7715 -20.4132
41 C2a C 28.1697 -20.4132
BOND 45
1 1 2 1
2 2 3 1
3 3 4 1
4 4 5 1
5 5 6 1
6 1 6 1
7 5 7 1
8 2 8 1
9 8 9 1
10 9 10 1
11 10 11 1
12 11 12 1
13 12 13 1
14 8 13 1
15 11 14 1
16 14 15 2
17 15 16 1
18 16 17 2
19 17 18 1
20 18 19 2
21 14 19 1
22 17 20 1
23 20 21 1
24 21 22 2
25 22 23 1
26 23 24 2
27 24 25 1
28 25 26 2
29 21 26 1
30 26 27 1
31 27 28 1
32 27 29 2
33 24 30 1
34 30 31 1
35 23 32 1
36 33 32 1 #Up
37 33 34 1
38 34 35 1
39 35 36 1
40 36 37 1
41 33 37 1
42 35 38 1
43 38 39 2
44 38 40 1
45 40 41 2
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