| Entry |
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| Name |
Tucatinib ethanolate (JAN);
Tucatinib hemiethanolate |
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| Formula |
(C26H24N8O2)2. C2H6O
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| Exact mass |
1006.4463
|
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| Mol weight |
1007.1108
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| Structure |
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| Class |
Antineoplastic
DG01918 Tyrosine kinase inhibitor
DG01917 Receptor tyrosine kinase inhibitor
DG03158 HER2 inhibitor
Metabolizing enzyme substrate
DG02918 CYP2C8 substrate
DG01633 CYP3A/CYP3A4 substrate
|
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| Remark |
| Product (DG03240): | D11141<US> |
|
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| Efficacy |
Antineoplastic, Receptor tyrosine kinase inhibitor |
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| Target |
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| Pathway |
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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
L01EH03 Tucatinib
D12442 Tucatinib ethanolate (JAN)
Drug groups [BR:br08330]
Antineoplastic
DG01918 Tyrosine kinase inhibitor
DG01917 Receptor tyrosine kinase inhibitor
DG03158 HER2 inhibitor
DG03240 Tucatinib
D12442 Tucatinib ethanolate
Metabolizing enzyme substrate
DG02918 CYP2C8 substrate
DG03240 Tucatinib
D12442 Tucatinib ethanolate
DG01633 CYP3A/CYP3A4 substrate
DG03240 Tucatinib
D12442 Tucatinib ethanolate
Target-based classification of drugs [BR:br08310]
Protein kinases
Receptor tyrosine kinases (RTK)
EGFR family
ERBB2* (HER2, CD340) [HSA_VAR:2064v1]
D12442 Tucatinib ethanolate (JAN)
ERBB3 (HER3)
D12442 Tucatinib ethanolate (JAN)
Drug metabolizing enzymes and transporters [br08309.html]
Drug metabolizing enzymes
D12442
Drug groups [BR:br08330]
Antineoplastic
DG01918 Tyrosine kinase inhibitor
DG01917 Receptor tyrosine kinase inhibitor
DG03158 HER2 inhibitor
DG03240 Tucatinib
Metabolizing enzyme substrate
DG02918 CYP2C8 substrate
DG03240 Tucatinib
DG01633 CYP3A/CYP3A4 substrate
DG03240 Tucatinib
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| Other DBs |
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| LinkDB |
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| KCF data |
ATOM 75
1 C8y C 15.8498 -10.3093
2 C8y C 15.8498 -11.7119
3 C8y C 14.6575 -12.4132
4 N5x N 13.3952 -11.7119
5 C8x C 13.3952 -10.3093
6 N5x N 14.6575 -9.6080
7 C8x C 17.0420 -9.6080
8 C8x C 18.3044 -10.3093
9 C8y C 18.3044 -11.7119
10 C8x C 17.0420 -12.4132
11 N1b N 19.4966 -12.4132
12 C2y C 20.6888 -11.7119
13 O2x O 20.6888 -10.3093
14 C1x C 22.0213 -9.8184
15 C1z C 22.8629 -10.9405
16 N2x N 22.0914 -12.1327
17 N1b N 14.6575 -13.8158
18 C1a C 23.5642 -9.7482
19 C1a C 23.8447 -11.9223
20 C8y C 15.9199 -14.5171
21 C8x C 15.9199 -15.9198
22 C8x C 17.1121 -16.6211
23 C8y C 18.3044 -15.9198
24 C8y C 18.3044 -14.5171
25 C8x C 17.1121 -13.8158
26 C1a C 19.4966 -13.8158
27 O2a O 19.5667 -16.6211
28 C8y C 19.4966 -18.0237
29 C8x C 18.3044 -18.7250
30 C8x C 18.3044 -20.1276
31 N4y N 19.4966 -20.8289
32 C8y C 20.6888 -20.1276
33 C8x C 20.6888 -18.7250
34 N5x N 19.7771 -22.1614
35 C8x C 21.1096 -22.3718
36 N5x N 21.6706 -21.1095
37 C1b C 29.8200 -20.2300
38 C1a C 31.0324 -20.9300
39 O1a O 28.6076 -20.9300
40 C8y C 15.8498 -10.3093
41 C8y C 15.8498 -11.7119
42 C8y C 14.6575 -12.4132
43 N5x N 13.3952 -11.7119
44 C8x C 13.3952 -10.3093
45 N5x N 14.6575 -9.6080
46 N1b N 14.6575 -13.8158
47 C8y C 15.9199 -14.5171
48 C8x C 15.9199 -15.9198
49 C8x C 17.1121 -16.6211
50 C8y C 18.3044 -15.9198
51 C8y C 18.3044 -14.5171
52 C8x C 17.1121 -13.8158
53 C1a C 19.4966 -13.8158
54 O2a O 19.5667 -16.6211
55 C8y C 19.4966 -18.0237
56 C8x C 18.3044 -18.7250
57 C8x C 18.3044 -20.1276
58 N4y N 19.4966 -20.8289
59 C8y C 20.6888 -20.1276
60 C8x C 20.6888 -18.7250
61 N5x N 21.6706 -21.1095
62 C8x C 21.1096 -22.3718
63 N5x N 19.7771 -22.1614
64 C8x C 17.0420 -12.4132
65 C8y C 18.3044 -11.7119
66 C8x C 18.3044 -10.3093
67 C8x C 17.0420 -9.6080
68 N1b N 19.4966 -12.4132
69 C2y C 20.6888 -11.7119
70 O2x O 20.6888 -10.3093
71 C1x C 22.0213 -9.8184
72 C1z C 22.8629 -10.9405
73 N2x N 22.0914 -12.1327
74 C1a C 23.5642 -9.7482
75 C1a C 23.8447 -11.9223
BOND 84
1 37 38 1
2 37 39 1
3 1 2 2
4 2 3 1
5 3 4 2
6 4 5 1
7 5 6 2
8 1 6 1
9 1 7 1
10 7 8 2
11 8 9 1
12 9 10 2
13 2 10 1
14 9 11 1
15 11 12 1
16 12 13 1
17 13 14 1
18 14 15 1
19 15 16 1
20 12 16 2
21 3 17 1
22 15 18 1
23 15 19 1
24 17 20 1
25 20 21 2
26 21 22 1
27 22 23 2
28 23 24 1
29 24 25 2
30 20 25 1
31 24 26 1
32 23 27 1
33 27 28 1
34 28 29 1
35 29 30 2
36 30 31 1
37 31 32 1
38 32 33 1
39 28 33 2
40 31 34 1
41 34 35 2
42 35 36 1
43 32 36 2
44 40 41 2
45 41 42 1
46 42 43 2
47 43 44 1
48 44 45 2
49 40 45 1
50 40 67 1
51 67 66 2
52 66 65 1
53 65 64 2
54 41 64 1
55 65 68 1
56 68 69 1
57 69 70 1
58 70 71 1
59 71 72 1
60 72 73 1
61 69 73 2
62 42 46 1
63 72 74 1
64 72 75 1
65 46 47 1
66 47 48 2
67 48 49 1
68 49 50 2
69 50 51 1
70 51 52 2
71 47 52 1
72 51 53 1
73 50 54 1
74 54 55 1
75 55 56 1
76 56 57 2
77 57 58 1
78 58 59 1
79 59 60 1
80 55 60 2
81 58 63 1
82 63 62 2
83 62 61 1
84 59 61 2
BRACKET 1 12.8100 -22.8900 12.8100 -8.6100
1 25.6900 -8.6100 25.6900 -22.8900
1 2
ORIGINAL 1 1 2 3 4 5 6 17 20 21 22 23 24 25 26 27 28
1 29 30 31 32 33 36 35 34 10 9 8 7 11 12 13 14
1 15 16 18 19
REPEAT 1 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55
1 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71
1 72 73 74 75
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