Entry |
|
Name |
Tenifatecan (USAN/INN) |
Formula |
C55H72N2O9
|
Exact mass |
904.5238
|
Mol weight |
905.17
|
Structure |
|
Class |
Antineoplastic
DG01529 Topoisomerase inhibitor
DG01526 Topoisomerase I inhibitor
|
Efficacy |
Antineoplastic, Topoisomerase I inhibitor |
Comment |
Tenifatecan is linked Tocopherol [DR: D02332] and active metabolite of Irinotecan [DR: D08086].
|
Target |
|
Brite |
Drug groups [BR:br08330]
Antineoplastic
DG01529 Topoisomerase inhibitor
DG01526 Topoisomerase I inhibitor
D09679 Tenifatecan
Target-based classification of drugs [BR:br08310]
Enzymes
Isomerases (EC5)
DNA topoisomerase
TOP1
D09679 Tenifatecan (USAN/INN)
|
Other DBs |
|
KCF data |
ATOM 66
1 C8y C 14.5600 -27.5100
2 C8x C 14.5600 -28.9100
3 C8x C 15.7724 -29.6100
4 C8y C 16.9849 -28.9100
5 C8y C 16.9849 -27.5100
6 C8x C 15.7724 -26.8100
7 N5x N 18.1973 -29.6100
8 C8y C 19.4097 -28.9100
9 C8y C 19.4097 -27.5100
10 C8y C 18.1973 -26.8100
11 C8y C 20.7412 -29.3426
12 N4y N 21.5641 -28.2100
13 C1x C 20.7412 -27.0774
14 C8x C 21.3807 -30.6216
15 C8y C 22.8430 -30.5579
16 C8y C 23.5259 -29.4953
17 C8y C 22.8865 -28.2163
18 O5x O 23.7836 -27.2179
19 C1z C 23.4845 -31.8023
20 C7x C 24.8829 -31.7989
21 O7x O 25.5658 -30.7363
22 C1x C 24.9243 -29.4919
23 O6a O 25.5393 -32.9985
24 C1b C 22.0845 -31.8023
25 C1a C 21.3944 -33.0170
26 O1a O 23.4845 -33.2023
27 C1b C 18.1973 -25.4100
28 C1a C 19.4118 -24.7088
29 O7a O 13.3476 -26.8100
30 C7a C 13.3475 -25.4102
31 O6a O 12.1519 -24.7198
32 C1b C 14.5768 -24.7003
33 C1b C 14.5765 -23.3101
34 C7a C 15.7765 -22.6170
35 O6a O 16.9661 -23.3037
36 O7a O 15.7764 -21.2102
37 C8y C 16.9690 -20.5215
38 C8y C 18.1547 -21.2060
39 C8y C 19.3671 -20.5059
40 C8y C 19.3671 -19.1059
41 C8y C 18.1813 -18.4214
42 C8y C 16.9689 -19.1215
43 C1a C 18.1549 -22.6098
44 C1a C 15.7298 -18.4061
45 C1a C 18.1811 -17.0101
46 C1x C 20.5796 -21.2059
47 C1x C 21.7920 -20.5058
48 C1z C 21.7919 -19.1058
49 O2x O 20.5795 -18.4059
50 C1b C 22.9860 -18.4162
51 C1b C 24.1763 -19.1033
52 C1b C 25.3660 -18.4162
53 C1c C 26.5562 -19.1034
54 C1b C 27.7460 -18.4162
55 C1b C 28.9362 -19.1034
56 C1b C 30.1260 -18.4162
57 C1c C 31.3162 -19.1034
58 C1b C 32.5060 -18.4162
59 C1b C 33.6962 -19.1034
60 C1b C 34.8860 -18.4162
61 C1a C 21.7919 -17.7058
62 C1a C 26.5565 -20.5097
63 C1a C 31.3165 -20.5097
64 C1c C 36.0762 -19.1034
65 C1a C 37.2660 -18.4163
66 C1a C 36.0765 -20.5097
BOND 72
1 1 2 1
2 2 3 2
3 3 4 1
4 4 5 1
5 5 6 1
6 1 6 2
7 4 7 2
8 7 8 1
9 8 9 2
10 9 10 1
11 5 10 2
12 8 11 1
13 11 12 1
14 12 13 1
15 9 13 1
16 11 14 2
17 14 15 1
18 15 16 2
19 16 17 1
20 12 17 1
21 17 18 2
22 15 19 1
23 19 20 1
24 20 21 1
25 21 22 1
26 16 22 1
27 20 23 2
28 19 24 1 #Down
29 24 25 1
30 19 26 1 #Up
31 10 27 1
32 27 28 1
33 1 29 1
34 29 30 1
35 30 31 2
36 30 32 1
37 32 33 1
38 33 34 1
39 34 35 2
40 34 36 1
41 36 37 1
42 37 38 2
43 38 39 1
44 39 40 2
45 40 41 1
46 41 42 2
47 37 42 1
48 38 43 1
49 42 44 1
50 41 45 1
51 39 46 1
52 46 47 1
53 47 48 1
54 48 49 1
55 40 49 1
56 48 50 1 #Down
57 50 51 1
58 51 52 1
59 52 53 1
60 53 54 1
61 54 55 1
62 55 56 1
63 56 57 1
64 57 58 1
65 58 59 1
66 59 60 1
67 48 61 1 #Up
68 53 62 1 #Up
69 57 63 1 #Up
70 60 64 1
71 64 65 1
72 64 66 1
|