| Entry |
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| Name |
Nilotinib laurylsulfate (USAN) |
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| Formula |
C28H22F3N7O. C12H26O4S
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| Exact mass |
795.3390
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| Mol weight |
795.91
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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> |
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| Efficacy |
Antineoplastic, Tyrosine kinase inhibitor |
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| Comment |
Treatment of myeloid leukemia
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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
D12854 Nilotinib laurylsulfate (USAN)
Drug groups [BR:br08330]
Antineoplastic
DG01918 Tyrosine kinase inhibitor
DG03161 BCR-ABL inhibitor
DG00716 Nilotinib
D12854 Nilotinib laurylsulfate
Metabolizing enzyme substrate
DG02918 CYP2C8 substrate
DG00716 Nilotinib
D12854 Nilotinib laurylsulfate
DG01633 CYP3A/CYP3A4 substrate
DG02913 CYP3A4 substrate
DG00716 Nilotinib
D12854 Nilotinib laurylsulfate
Transporter substrate
DG01665 ABCB1 substrate
DG00716 Nilotinib
D12854 Nilotinib laurylsulfate
Target-based classification of drugs [BR:br08310]
Protein kinases
Receptor tyrosine kinases (RTK)
PDGFR family
PDGFR
D12854 Nilotinib laurylsulfate (USAN)
KIT (CD117)
D12854 Nilotinib laurylsulfate (USAN)
Non-receptor tyrosine kinases
ABL family
BCR-ABL [HSA_VAR:25v1]
D12854 Nilotinib laurylsulfate (USAN)
Drug metabolizing enzymes and transporters [br08309.html]
Drug metabolizing enzymes
D12854
Drug transporters
D12854
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 56
1 C8y C 24.7049 -17.0065
2 C8x C 24.7049 -15.6068
3 C8y C 23.5152 -14.9069
4 C8x C 22.2554 -15.6068
5 C8y C 22.2554 -17.0065
6 C8x C 23.5152 -17.7064
7 N1b N 21.0657 -17.7064
8 C5a C 19.8759 -17.0065
9 C8y C 18.6862 -17.7064
10 C8x C 17.4264 -17.0065
11 C8y C 16.2367 -17.7064
12 C8y C 16.2367 -19.1061
13 C8x C 17.4264 -19.8059
14 C8x C 18.6862 -19.1061
15 N1b N 15.0469 -17.0765
16 C8y C 13.7872 -17.7763
17 N5x N 12.5974 -17.0765
18 C8y C 11.4077 -17.7763
19 C8x C 11.4077 -19.1761
20 C8x C 12.5974 -19.8759
21 N5x N 13.7872 -19.1761
22 C8y C 10.0779 -17.0765
23 C8x C 10.0779 -15.6768
24 N5x N 8.8882 -14.9769
25 C8x C 7.6984 -15.6768
26 C8x C 7.6984 -17.0765
27 C8x C 8.8882 -17.7763
28 C1a C 15.0469 -19.8059
29 O5a O 19.8759 -15.6068
30 C8x C 25.8947 -19.1061
31 N4y N 25.8947 -17.7064
32 N5x N 27.2944 -19.5260
33 C8y C 28.0642 -18.4062
34 C8x C 27.2244 -17.2864
35 C1d C 23.5152 -13.5072
36 X F 22.1154 -13.5072
37 C1a C 29.5339 -18.4062
38 X F 24.9149 -13.5072
39 X F 23.5152 -12.1075
40 C1b C 44.7678 -13.5649
41 C1b C 43.5789 -14.2642
42 C1b C 42.3899 -13.5649
43 C1b C 41.1310 -14.2642
44 C1b C 39.9421 -13.5649
45 C1b C 38.7531 -14.2642
46 C1b C 37.5642 -13.5649
47 C1b C 36.3752 -14.2642
48 C1b C 35.1163 -13.5649
49 C1b C 33.9274 -14.2642
50 C1b C 32.7384 -13.5649
51 O2a O 31.5494 -14.2642
52 C1a C 46.0267 -14.2642
53 S4a S 30.1507 -14.2642
54 O1d O 28.6820 -14.2642
55 O1d O 30.1507 -12.8655
56 O1d O 30.1507 -15.6630
BOND 59
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 45 46 1
50 46 47 1
51 47 48 1
52 48 49 1
53 49 50 1
54 50 51 1
55 40 52 1
56 51 53 1
57 53 54 1
58 53 55 2
59 53 56 2
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