| Entry |
|
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| Name |
Neratinib maleate;
Nerlynx (TN) |
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| Product |
|
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| Formula |
C30H29ClN6O3. C4H4O4
|
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| Exact mass |
672.2099
|
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| Mol weight |
673.1148
|
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| Structure |
|
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| Simcomp |
|
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| Class |
Antineoplastic
DG01918 Tyrosine kinase inhibitor
DG01917 Receptor tyrosine kinase inhibitor
DG03158 HER2 inhibitor
Metabolizing enzyme substrate
DG01633 CYP3A/CYP3A4 substrate
DG02913 CYP3A4 substrate
Unclassified
DG03306 FMO substrate
|
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| Remark |
| Product (DG02303): | D10898<US> |
|
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| Efficacy |
Antineoplastic, Receptor tyrosine kinase inhibitor |
|---|
| Disease |
Breast cancer (HER2 positive) [DS: H00031] |
|---|
| Target |
|
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| Pathway |
| hsa01521 | EGFR tyrosine kinase inhibitor resistance |
|
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| Network |
|
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| Metabolism |
|
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| Interaction |
|
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| Brite |
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
L ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
L01 ANTINEOPLASTIC AGENTS
L01E PROTEIN KINASE INHIBITORS
L01EH Human epidermal growth factor receptor 2 (HER2) tyrosine kinase inhibitors
L01EH02 Neratinib
D10898 Neratinib maleate <US>
USP drug classification [BR:br08302]
Antineoplastics
Molecular Target Inhibitors
Neratinib
D10898 Neratinib maleate
Drug groups [BR:br08330]
Antineoplastic
DG01918 Tyrosine kinase inhibitor
DG01917 Receptor tyrosine kinase inhibitor
DG03158 HER2 inhibitor
DG02303 Neratinib
D10898 Neratinib maleate
Metabolizing enzyme substrate
DG01633 CYP3A/CYP3A4 substrate
DG02913 CYP3A4 substrate
DG02303 Neratinib
D10898 Neratinib maleate
Unclassified
DG03306 FMO substrate
DG02303 Neratinib
D10898 Neratinib maleate
Drug classes [BR:br08332]
Antineoplastic
DG03158 HER2 inhibitor
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
Drug metabolizing enzymes and transporters [br08309.html]
Drug metabolizing enzymes
D10898
Pharmacogenomic biomarkers [br08341.html]
Somatic variations in targeted cancer therapies
D10898
Drug groups [BR:br08330]
Antineoplastic
DG01918 Tyrosine kinase inhibitor
DG01917 Receptor tyrosine kinase inhibitor
DG03158 HER2 inhibitor
DG02303 Neratinib
Metabolizing enzyme substrate
DG01633 CYP3A/CYP3A4 substrate
DG02913 CYP3A4 substrate
DG02303 Neratinib
Unclassified
DG03306 FMO substrate
DG02303 Neratinib
|
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| Other DBs |
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| LinkDB |
|
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| KCF data |
ATOM 48
1 C8y C 15.0537 -13.7228
2 C8y C 15.0537 -12.3225
3 C8x C 13.8635 -11.6224
4 C8y C 12.6032 -12.3225
5 C8y C 12.6032 -13.7228
6 C8x C 13.8635 -14.4230
7 N5x N 11.4130 -11.6224
8 C8x C 10.2227 -12.3225
9 C8y C 10.2227 -13.7228
10 C8y C 11.4130 -14.4230
11 N1b N 11.4130 -15.8233
12 C8y C 12.6032 -16.5234
13 C3b C 9.1025 -14.4230
14 N3a N 7.8423 -15.1231
15 C8x C 13.7935 -15.8233
16 C8x C 15.0537 -16.5234
17 C8y C 15.0537 -17.8537
18 C8y C 13.8635 -18.5539
19 C8x C 12.6032 -17.8537
20 X Cl 13.8635 -19.9542
21 O2a O 16.2440 -18.5539
22 C1b C 17.4342 -17.8537
23 C8y C 18.6945 -18.5539
24 N5x N 18.6945 -19.9542
25 C8x C 19.8848 -20.6543
26 C8x C 21.0750 -19.9542
27 C8x C 21.0750 -18.5539
28 C8x C 19.8848 -17.8537
29 N1b N 16.2650 -14.4156
30 O2a O 16.2673 -11.6284
31 C1b C 16.2673 -10.2284
32 C1a C 17.4626 -9.5380
33 C5a C 17.4539 -13.7225
34 C2b C 18.6501 -14.4066
35 O5a O 17.4481 -12.3201
36 C2b C 19.8313 -13.7181
37 C1b C 21.0313 -14.4044
38 N1c N 22.2107 -13.7171
39 C1a C 23.4115 -14.4040
40 C1a C 22.2051 -12.3201
41 C2b C 27.4619 -18.0035
42 C2b C 25.8507 -18.0035
43 C6a C 28.1625 -19.1944
44 C6a C 25.1502 -19.1944
45 O6a O 27.4619 -20.3854
46 O6a O 29.4935 -19.1944
47 O6a O 23.8191 -19.1944
48 O6a O 25.8507 -20.3854
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 10 11 1
13 11 12 1
14 9 13 1
15 13 14 3
16 12 15 2
17 15 16 1
18 16 17 2
19 17 18 1
20 18 19 2
21 12 19 1
22 18 20 1
23 17 21 1
24 21 22 1
25 22 23 1
26 23 24 2
27 24 25 1
28 25 26 2
29 26 27 1
30 27 28 2
31 23 28 1
32 1 29 1
33 2 30 1
34 30 31 1
35 31 32 1
36 29 33 1
37 33 34 1
38 33 35 2
39 34 36 2
40 36 37 1
41 37 38 1
42 38 39 1
43 38 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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