| Entry |
|
|---|
| Name |
Nazartinib mesylate (USAN);
Nazartinib mesylate trihydrate |
|---|
| Formula |
C26H31ClN6O2. CH4SO3. 3H2O
|
|---|
| Exact mass |
644.2395
|
|---|
| Mol weight |
645.17
|
|---|
| Structure |
|
|---|
| Simcomp |
|
|---|
| 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
DG03015 Nazartinib
D11434 Nazartinib mesylate
Target-based classification of drugs [BR:br08310]
Protein kinases
Receptor tyrosine kinases (RTK)
EGFR family
EGFR
D11434 Nazartinib mesylate (USAN)
Drug groups [BR:br08330]
Antineoplastic
DG01918 Tyrosine kinase inhibitor
DG01917 Receptor tyrosine kinase inhibitor
DG03015 Nazartinib
|
|---|
| Other DBs |
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| LinkDB |
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|---|
| KCF data |
ATOM 43
1 C8x C 25.3571 -16.5311
2 C8x C 25.3571 -17.9321
3 C8x C 24.1663 -18.6325
4 C8y C 22.8354 -17.9321
5 C8y C 22.8354 -16.5311
6 C8y C 24.1663 -15.7606
7 N5x N 21.5045 -18.3524
8 C8y C 20.7340 -17.2316
9 N4y N 21.5045 -16.0408
10 N1b N 19.3330 -17.2316
11 C5a C 18.6325 -18.4224
12 C8y C 17.2316 -18.4224
13 O5a O 19.3330 -19.6132
14 C8x C 16.5311 -19.6132
15 C8y C 15.1302 -19.6132
16 N5x N 14.4297 -18.4224
17 C8x C 15.1302 -17.2316
18 C8x C 16.5311 -17.2316
19 C1a C 14.4297 -20.8040
20 X Cl 24.1663 -14.3597
21 C1y C 21.0842 -14.7099
22 C1x C 22.2050 -12.4684
23 C1x C 21.0842 -11.5578
24 C1x C 19.7533 -11.9080
25 N1y N 19.1229 -13.1689
26 C1x C 22.2050 -13.8693
27 C1x C 19.7533 -14.4297
28 C5a C 17.9321 -13.8693
29 C2b C 16.7413 -13.1689
30 O5a O 17.9321 -15.2703
31 C2b C 15.5505 -13.8693
32 C1b C 14.3597 -13.1689
33 N1c N 13.1689 -13.8693
34 C1a C 11.9781 -13.1689
35 C1a C 13.1689 -15.2703
36 S4a S 29.4700 -14.8400
37 O1d O 29.4700 -13.4400
38 O1d O 29.4700 -16.2400
39 C1a C 28.0700 -14.8400
40 O1d O 30.8700 -14.8400
41 O0 O 30.2400 -19.6700
42 O0 O 30.2400 -19.6700
43 O0 O 30.2400 -19.6700
BOND 42
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 4 7 1
8 7 8 2
9 8 9 1
10 5 9 1
11 8 10 1
12 10 11 1
13 11 12 1
14 11 13 2
15 12 14 2
16 14 15 1
17 15 16 2
18 16 17 1
19 17 18 2
20 12 18 1
21 15 19 1
22 6 20 1
23 21 9 1 #Up
24 24 25 1
25 22 26 1
26 25 27 1
27 23 24 1
28 26 21 1
29 22 23 1
30 27 21 1
31 25 28 1
32 28 29 1
33 28 30 2
34 29 31 2
35 31 32 1
36 32 33 1
37 33 34 1
38 33 35 1
39 36 37 2
40 36 38 2
41 36 39 1
42 36 40 1
BRACKET 1 27.9300 -20.3700 27.9300 -18.6200
1 31.0800 -18.6200 31.0800 -20.3700
1 3
ORIGINAL 1 41
REPEAT 1 42 43
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