| Entry |
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| Name |
Nilotinib D-tartrate (USAN);
Nilotinib tartrate;
Danziten (TN) |
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| Product |
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| Formula |
C28H22F3N7O. C4H6O6
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| Exact mass |
679.2002
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| Mol weight |
679.60
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| Structure |
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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 |
| Product (DG00716): | D06413<JP/US> D12444<JP> D13008<US> |
|
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| Efficacy |
Antineoplastic, Tyrosine kinase inhibitor |
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| Target |
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| Pathway |
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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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| 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
D13008 Nilotinib D-tartrate (USAN) <US>
Drug groups [BR:br08330]
Antineoplastic
DG01918 Tyrosine kinase inhibitor
DG03161 BCR-ABL inhibitor
DG00716 Nilotinib
D13008 Nilotinib D-tartrate
Metabolizing enzyme substrate
DG02918 CYP2C8 substrate
DG00716 Nilotinib
D13008 Nilotinib D-tartrate
DG01633 CYP3A/CYP3A4 substrate
DG02913 CYP3A4 substrate
DG00716 Nilotinib
D13008 Nilotinib D-tartrate
Transporter substrate
DG01665 ABCB1 substrate
DG00716 Nilotinib
D13008 Nilotinib D-tartrate
Target-based classification of drugs [BR:br08310]
Protein kinases
Receptor tyrosine kinases (RTK)
PDGFR family
PDGFR
D13008 Nilotinib D-tartrate (USAN) <US>
KIT (CD117)
D13008 Nilotinib D-tartrate (USAN) <US>
Non-receptor tyrosine kinases
ABL family
BCR-ABL [HSA_VAR:25v1]
D13008 Nilotinib D-tartrate (USAN) <US>
Drug metabolizing enzymes and transporters [br08309.html]
Drug metabolizing enzymes
D13008
Drug transporters
D13008
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 49
1 C8y C 20.2377 -17.0153
2 C8x C 20.2377 -15.6149
3 C8y C 19.0473 -14.9147
4 C8x C 17.7869 -15.6149
5 C8y C 17.7869 -17.0153
6 C8x C 19.0473 -17.7156
7 N1b N 16.5965 -17.7156
8 C5a C 15.4061 -17.0153
9 C8y C 14.2158 -17.7156
10 C8x C 12.9554 -17.0153
11 C8y C 11.7651 -17.7156
12 C8y C 11.7651 -19.1160
13 C8x C 12.9554 -19.8162
14 C8x C 14.2158 -19.1160
15 N1b N 10.5747 -17.0854
16 C8y C 9.3143 -17.7856
17 N5x N 8.1240 -17.0854
18 C8y C 6.9336 -17.7856
19 C8x C 6.9336 -19.1860
20 C8x C 8.1240 -19.8862
21 N5x N 9.3143 -19.1860
22 C8y C 5.6032 -17.0854
23 C8x C 5.6032 -15.6849
24 N5x N 4.4128 -14.9847
25 C8x C 3.2224 -15.6849
26 C8x C 3.2224 -17.0854
27 C8x C 4.4128 -17.7856
28 C1a C 10.5747 -19.8162
29 O5a O 15.4061 -15.6149
30 C8x C 21.4280 -19.1160
31 N4y N 21.4280 -17.7156
32 N5x N 22.8285 -19.5361
33 C8y C 23.5987 -18.4158
34 C8x C 22.7584 -17.2954
35 C1d C 19.0473 -13.5142
36 X F 17.6468 -13.5142
37 C1a C 25.0692 -18.4158
38 X F 20.4477 -13.5142
39 X F 19.0473 -12.1138
40 O6a O 33.9620 -16.6652
41 C6a C 32.7016 -17.3654
42 C1c C 31.5812 -16.6652
43 C1c C 30.3908 -17.3654
44 C6a C 29.1304 -16.6652
45 O6a O 27.9401 -17.3654
46 O6a O 32.7016 -18.7659
47 O1a O 31.5812 -15.2648
48 O1a O 30.3908 -18.7659
49 O6a O 29.1304 -15.2648
BOND 52
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
44 40 41 1
45 41 42 1
46 42 43 1
47 43 44 1
48 44 45 1
49 41 46 2
50 42 47 1 #Down
51 43 48 1 #Down
52 44 49 2
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