| Entry |
|
|---|
| Name |
Neratinib maleate;
Nerlynx (TN)
|
|---|
| Product |
|
|---|
| Formula |
C30H29ClN6O3. C4H4O4
|
|---|
| Exact mass |
672.2099
|
|---|
| Mol weight |
673.1148
|
|---|
| Structure |
   |
|---|
| Simcomp |
 |
|---|
| Remark |
| Product (DG02303): | D10898<US> |
|
|---|
| Efficacy |
Antineoplastic, Receptor tyrosine kinase inhibitor |
|---|
| Disease |
Breast cancer (HER2 positive) [DS: H00031] |
|---|
| Target |
|
|---|
| Network |
| N10009 | Tyrosine kinase inhibitor to HER2 overexpression/amplification |
|
|---|
| Pathway |
| hsa01521 | EGFR tyrosine kinase inhibitor resistance |
|
|---|
| Interaction |
|
|---|
| Brite |
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
L ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
L01 ANTINEOPLASTIC AGENTS
L01X OTHER ANTINEOPLASTIC AGENTS
L01XE Protein kinase inhibitors
L01XE45 Neratinib
D10898 Neratinib maleate <US>
USP drug classification [BR:br08302]
Antineoplastics
Molecular Target Inhibitors
Neratinib
D10898 Neratinib maleate
Target-based classification of drugs [BR:br08310]
Protein kinases
Receptor tyrosine kinases (RTK)
EGFR family
EGFR
D10898 Neratinib maleate <US>
ERBB2* (HER2, CD340) [HSA_VAR:2064v1 2064v3]
D10898 Neratinib maleate <US>
ERBB4 (HER4)
D10898 Neratinib maleate <US>
New drug approvals in the USA [br08319.html]
New molecular entities and new therapeutic biological products
D10898
New drug approvals in Europe [br08329.html]
European public assessment reports (EPAR) authorised medicine
D10898
New drug approvals in the USA, Europe and Japan [br08328.html]
Approval dates by FDA, EMA and PMDA
D10898
Pharmacogenomic biomarkers [br08341.html]
Somatic variations in targeted cancer therapies
D10898
 |
|---|
| Other DBs |
|
|---|
| LinkDB |
 |
|---|
| KCF data |
ATOM 48
1 C8y C 18.1338 -13.9329
2 C8y C 18.1338 -12.5326
3 C8x C 16.9436 -11.8325
4 C8y C 15.6833 -12.5326
5 C8y C 15.6833 -13.9329
6 C8x C 16.9436 -14.6331
7 N5x N 14.4931 -11.8325
8 C8x C 13.3028 -12.5326
9 C8y C 13.3028 -13.9329
10 C8y C 14.4931 -14.6331
11 O2a O 19.3241 -11.4824
12 N1b N 19.3241 -15.1232
13 C5a C 20.5143 -14.4230
14 C2b C 21.7046 -15.1232
15 C2b C 22.8948 -14.4230
16 C1b C 24.0851 -15.1232
17 N1c N 25.2753 -14.4230
18 O5a O 20.5143 -13.0228
19 C1a C 26.3956 -15.1232
20 C1a C 25.2753 -13.0228
21 N1b N 14.4931 -16.0334
22 C8y C 15.6833 -16.7335
23 C3b C 12.1826 -14.6331
24 N3a N 10.9223 -15.3332
25 C8x C 16.8736 -16.0334
26 C8x C 18.1338 -16.7335
27 C8y C 18.1338 -18.0638
28 C8y C 16.9436 -18.7640
29 C8x C 15.6833 -18.0638
30 X Cl 16.9436 -20.1643
31 C1b C 20.5143 -12.1126
32 C1a C 21.7746 -11.4824
33 O2a O 19.3241 -18.7640
34 C1b C 20.5143 -18.0638
35 C8y C 21.7746 -18.7640
36 N5x N 21.7746 -20.1643
37 C8x C 22.9649 -20.8644
38 C8x C 24.1551 -20.1643
39 C8x C 24.1551 -18.7640
40 C8x C 22.9649 -18.0638
41 C2b C 30.5420 -18.2136
42 C2b C 28.9308 -18.2136
43 C6a C 31.2426 -19.4045
44 C6a C 28.2303 -19.4045
45 O6a O 30.5420 -20.5955
46 O6a O 32.5736 -19.4045
47 O6a O 26.8992 -19.4045
48 O6a O 28.9308 -20.5955
BOND 50
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 9 10 2
11 5 10 1
12 2 11 1
13 1 12 1
14 12 13 1
15 13 14 1
16 14 15 2
17 15 16 1
18 16 17 1
19 13 18 2
20 17 19 1
21 17 20 1
22 10 21 1
23 21 22 1
24 9 23 1
25 23 24 3
26 22 25 2
27 25 26 1
28 26 27 2
29 27 28 1
30 28 29 2
31 22 29 1
32 28 30 1
33 11 31 1
34 31 32 1
35 27 33 1
36 33 34 1
37 34 35 1
38 35 36 2
39 36 37 1
40 37 38 2
41 38 39 1
42 39 40 2
43 35 40 1
44 41 42 2
45 41 43 1
46 42 44 1
47 43 45 1
48 43 46 2
49 44 47 1
50 44 48 2
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