| Entry |
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| Name |
Nilotinib hydrochloride hydrate (JAN);
Nilotinib monohydrochloride monohydrate;
Tasigna (TN) |
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| Product |
|
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| Formula |
C28H22F3N7O. HCl. H2O
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| Exact mass |
583.1710
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| Mol weight |
583.99
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| Structure |
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| Simcomp |
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| Class |
Antineoplastic
DG01918 Tyrosine kinase inhibitor
DG03161 BCR-ABL inhibitor
Metabolizing enzyme substrate
DG02918 CYP2C8 substrate
DG01633 CYP3A/CYP3A4 substrate
DG02913 CYP3A4 substrate
Transporter substrate
DG01665 ABCB1 substrate
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| Remark |
| Therapeutic category: | 4291 |
| Product (DG00716): | D06413<JP/US> D13008<US> |
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| Efficacy |
Antineoplastic, Tyrosine kinase inhibitor |
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| Disease |
Chronic myeloid leukemia (Philadelphia chromosome positive) [DS: H00004] Chronic myelogenous leukemia (Philadelphia chromosome positive) [DS: H00004] |
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| Target |
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| Pathway |
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| Network |
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| Metabolism |
Enzyme: CYP3A4 [HSA: 1576]; CYP2C8 [HSA: 1558]
Transporter: ABCB1 [HSA: 5243]
|
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| Interaction |
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| Structure map |
| map07045 | Antineoplastics - protein kinase inhibitors |
|
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| Brite |
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
L ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
L01 ANTINEOPLASTIC AGENTS
L01E PROTEIN KINASE INHIBITORS
L01EA BCR-ABL tyrosine kinase inhibitors
L01EA03 Nilotinib
D06413 Nilotinib hydrochloride hydrate (JAN) <JP/US>
USP drug classification [BR:br08302]
Antineoplastics
Molecular Target Inhibitors
Multitargeted Kinase Inhibitors, BCR-ABL
Nilotinib
D06413 Nilotinib hydrochloride hydrate (JAN)
Therapeutic category of drugs in Japan [BR:br08301]
4 Agents affecting cellular function
42 Antineoplastics
429 Miscellaneous
4291 Other Antitumors
D06413 Nilotinib hydrochloride hydrate (JAN)
Drug groups [BR:br08330]
Antineoplastic
DG01918 Tyrosine kinase inhibitor
DG03161 BCR-ABL inhibitor
DG00716 Nilotinib
D06413 Nilotinib hydrochloride hydrate
Metabolizing enzyme substrate
DG02918 CYP2C8 substrate
DG00716 Nilotinib
D06413 Nilotinib hydrochloride hydrate
DG01633 CYP3A/CYP3A4 substrate
DG02913 CYP3A4 substrate
DG00716 Nilotinib
D06413 Nilotinib hydrochloride hydrate
Transporter substrate
DG01665 ABCB1 substrate
DG00716 Nilotinib
D06413 Nilotinib hydrochloride hydrate
Drug classes [BR:br08332]
Antineoplastic
DG03161 BCR-ABL inhibitor
D06413 Nilotinib hydrochloride hydrate
Target-based classification of drugs [BR:br08310]
Protein kinases
Receptor tyrosine kinases (RTK)
PDGFR family
PDGFR
D06413 Nilotinib hydrochloride hydrate (JAN) <JP/US>
KIT (CD117)
D06413 Nilotinib hydrochloride hydrate (JAN) <JP/US>
Non-receptor tyrosine kinases
ABL family
BCR-ABL [HSA_VAR:25v1]
D06413 Nilotinib hydrochloride hydrate (JAN) <JP/US>
New drug approvals in the USA [br08319.html]
New molecular entities and new therapeutic biological products
D06413
New drug approvals in Europe [br08329.html]
European public assessment reports (EPAR) authorised medicine
D06413
New drug approvals in Japan [br08318.html]
Drugs with new active ingredients
D06413
New drug approvals in the USA, Europe and Japan [br08328.html]
Approval dates by FDA, EMA and PMDA
D06413
Drug metabolizing enzymes and transporters [br08309.html]
Drug metabolizing enzymes
D06413
Drug transporters
D06413
Pharmacogenomic biomarkers [br08341.html]
Somatic variations in targeted cancer therapies
D06413
Polymorphisms and mutations affecting drug response
D06413
Drug groups [BR:br08330]
Antineoplastic
DG01918 Tyrosine kinase inhibitor
DG03161 BCR-ABL inhibitor
DG00716 Nilotinib
Metabolizing enzyme substrate
DG02918 CYP2C8 substrate
DG00716 Nilotinib
DG01633 CYP3A/CYP3A4 substrate
DG02913 CYP3A4 substrate
DG00716 Nilotinib
Transporter substrate
DG01665 ABCB1 substrate
DG00716 Nilotinib
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| Other DBs |
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| LinkDB |
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| KCF data |
ATOM 41
1 C8y C 32.4721 -18.1486
2 C8x C 32.4721 -16.7459
3 C8y C 31.2798 -16.0446
4 C8x C 30.0173 -16.7459
5 C8y C 30.0173 -18.1486
6 C8x C 31.2798 -18.8499
7 N1b N 28.8250 -18.8499
8 C5a C 27.6328 -18.1486
9 C8y C 26.4405 -18.8499
10 C8x C 25.1779 -18.1486
11 C8y C 23.9857 -18.8499
12 C8y C 23.9857 -20.2525
13 C8x C 25.1779 -20.9539
14 C8x C 26.4405 -20.2525
15 N1b N 22.7934 -18.2187
16 C8y C 21.5309 -18.9199
17 N5x N 20.3387 -18.2187
18 C8y C 19.1464 -18.9199
19 C8x C 19.1464 -20.3227
20 C8x C 20.3387 -21.0240
21 N5x N 21.5309 -20.3227
22 C8y C 17.8841 -18.2187
23 C8x C 17.8841 -16.8161
24 N5x N 16.6918 -16.1147
25 C8x C 15.4995 -16.8161
26 C8x C 15.4995 -18.2187
27 C8x C 16.6918 -18.9199
28 C1a C 22.7934 -20.9539
29 O5a O 27.6326 -16.7207
30 C8x C 33.7016 -20.2382
31 N4y N 33.6900 -18.8385
32 N5x N 35.0363 -20.6599
33 C8y C 35.8498 -19.5208
34 C8x C 35.0176 -18.3950
35 C1d C 31.2973 -14.6211
36 X F 29.8274 -14.6211
37 C1a C 37.2325 -19.5095
38 X F 32.6271 -14.6211
39 X F 31.2973 -13.2212
40 X Cl 31.1503 -21.2102
41 O0 O 31.5001 -23.5201
BOND 43
1 18 19 2
2 19 20 1
3 20 21 2
4 21 16 1
5 3 4 2
6 18 22 1
7 4 5 1
8 5 6 2
9 6 1 1
10 9 10 2
11 10 11 1
12 22 23 2
13 23 24 1
14 24 25 2
15 25 26 1
16 26 27 2
17 27 22 1
18 11 12 2
19 12 13 1
20 13 14 2
21 14 9 1
22 11 15 1
23 5 7 1
24 15 16 1
25 7 8 1
26 12 28 1
27 1 2 2
28 8 9 1
29 2 3 1
30 16 17 2
31 17 18 1
32 8 29 2
33 30 31 1
34 1 31 1
35 30 32 2
36 32 33 1
37 33 34 2
38 31 34 1
39 3 35 1
40 35 36 1
41 33 37 1
42 35 38 1
43 35 39 1
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