| Entry |
|
|---|
| Name |
Naquotinib mesylate (USAN);
Naquotinib mesilate (JAN) |
|---|
| Formula |
C30H42N8O3. CH4SO3
|
|---|
| Exact mass |
658.3261
|
|---|
| Mol weight |
658.81
|
|---|
| Structure |
|
|---|
| Simcomp |
|
|---|
| Class |
Antineoplastic
DG01918 Tyrosine kinase inhibitor
DG01917 Receptor tyrosine kinase inhibitor
|
|---|
| Remark |
|
|---|
| Efficacy |
Antineoplastic, Receptor tyrosine kinase inhibitor |
|---|
| Target |
|
|---|
| Interaction |
|
|---|
| Brite |
Drug groups [BR:br08330]
Antineoplastic
DG01918 Tyrosine kinase inhibitor
DG01917 Receptor tyrosine kinase inhibitor
DG03112 Naquotinib
D10886 Naquotinib mesylate
Target-based classification of drugs [BR:br08310]
Protein kinases
Receptor tyrosine kinases (RTK)
EGFR family
EGFR
D10886 Naquotinib mesylate (USAN)
Drug groups [BR:br08330]
Antineoplastic
DG01918 Tyrosine kinase inhibitor
DG01917 Receptor tyrosine kinase inhibitor
DG03112 Naquotinib
|
|---|
| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 46
1 C1x C 14.8400 -21.3500
2 N1y N 14.8400 -19.9500
3 C1x C 13.6500 -19.2500
4 C1x C 12.3900 -19.9500
5 N1y N 12.3900 -21.3500
6 C1x C 13.6500 -22.0500
7 C1a C 11.2000 -22.0500
8 C1y C 16.0300 -19.2500
9 C1x C 17.2200 -19.9500
10 C1x C 18.4800 -19.2500
11 N1y N 18.4800 -17.8500
12 C1x C 17.2900 -17.1500
13 C1x C 16.0300 -17.8500
14 C8y C 19.6700 -17.1500
15 C8x C 20.8600 -17.8500
16 C8x C 22.1200 -17.1500
17 C8y C 22.1200 -15.7500
18 C8x C 20.9300 -15.0500
19 C8x C 19.6700 -15.7500
20 N1b N 23.3100 -15.0500
21 C8y C 24.5000 -15.7500
22 N5x N 24.5000 -17.1500
23 C8y C 25.7600 -17.8500
24 C8y C 26.9500 -17.1500
25 N5x N 26.9500 -15.7500
26 C8y C 25.7600 -15.0500
27 C5a C 25.7600 -13.6500
28 N1a N 27.0200 -12.9500
29 O5a O 24.5700 -12.9500
30 C1b C 28.1400 -17.8500
31 C1a C 29.3300 -17.1500
32 O2a O 25.7600 -19.2500
33 C1y C 27.0200 -19.9500
34 C1x C 28.3500 -19.4600
35 N1y N 29.1900 -20.5800
36 C1x C 28.4200 -21.7000
37 C1x C 27.0200 -21.3500
38 C5a C 30.5900 -20.5800
39 O5a O 31.2900 -19.3900
40 C2b C 31.2900 -21.7700
41 C2a C 32.6900 -21.7700
42 S4a S 33.6700 -14.3500
43 O1d O 33.6700 -12.9500
44 O1d O 33.6700 -15.7500
45 O1d O 35.0700 -14.3500
46 C1a C 32.2700 -14.3500
BOND 49
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
46 42 43 2
47 42 44 2
48 42 45 1
49 42 46 1
|
|---|
