| Entry |
|
|---|
| Name |
Tivumecirnon besylate (USAN) |
|---|
| Formula |
C24H27Cl2F3N6O. C6H6O3S
|
|---|
| Exact mass |
700.1613
|
|---|
| Mol weight |
701.587
|
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| Structure |
|
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| Remark |
|
|---|
| Efficacy |
Antineoplastic, Chemokine receptor 4 antagonist |
|---|
| Target |
|
|---|
| Pathway |
| hsa04060 | Cytokine-cytokine receptor interaction |
|
|---|
| Brite |
Target-based classification of drugs [BR:br08310]
Cytokines and receptors
Cytokine receptors
Chemokine receptors
CCR4 (CD194)
D12885 Tivumecirnon besylate (USAN)
|
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| Other DBs |
|
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| LinkDB |
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| KCF data |
ATOM 46
1 C8x C 16.3268 -13.8742
2 C8y C 16.3268 -15.2757
3 N5x N 15.1355 -15.9764
4 C8y C 13.8742 -15.2757
5 C8y C 13.8742 -13.8742
6 N5x N 15.1355 -13.1735
7 C8y C 12.5429 -13.4538
8 N5x N 11.7020 -14.5750
9 N4y N 12.5429 -15.6961
10 C1d C 12.1224 -12.1224
11 X F 11.7721 -10.7911
12 X F 10.7911 -12.4728
13 X F 13.4538 -11.7721
14 C1c C 12.1224 -17.0275
15 C1a C 10.7210 -17.3078
16 C8y C 13.0334 -18.0786
17 C8y C 12.6129 -19.4099
18 C8x C 13.5239 -20.4610
19 C8y C 14.9253 -20.1807
20 C8x C 15.3458 -18.8493
21 C8x C 14.4348 -17.7983
22 X Cl 11.2115 -19.6902
23 X Cl 15.8363 -21.2318
24 N1y N 17.5180 -15.9764
25 C1x C 17.9384 -17.3078
26 C1y C 19.2698 -16.9574
27 C1x C 18.9194 -15.6260
28 C1y C 20.4610 -17.6581
29 C1x C 20.4610 -19.0596
30 C1x C 21.7223 -19.7603
31 C1x C 22.9135 -19.0596
32 N1y N 22.9135 -17.6581
33 C1x C 21.7223 -16.9574
34 C1b C 24.1047 -16.9574
35 C1b C 25.2960 -17.6581
36 O1a O 26.4872 -16.9574
37 C8x C 28.7700 -19.0400
38 C8x C 28.7700 -20.4400
39 C8x C 29.9824 -21.1400
40 C8x C 31.1949 -20.4400
41 C8x C 31.1949 -19.0400
42 C8y C 29.9824 -18.3400
43 S4a S 29.9824 -16.9402
44 O1d O 29.9824 -15.5402
45 O1d O 28.5824 -16.9402
46 O1d O 31.3824 -16.9402
BOND 50
1 1 2 2
2 2 3 1
3 3 4 2
4 4 5 1
5 5 6 2
6 1 6 1
7 5 7 1
8 7 8 2
9 8 9 1
10 4 9 1
11 7 10 1
12 10 11 1
13 10 12 1
14 10 13 1
15 9 14 1
16 14 15 1 #Up
17 14 16 1
18 16 17 2
19 17 18 1
20 18 19 2
21 19 20 1
22 20 21 2
23 16 21 1
24 17 22 1
25 19 23 1
26 2 24 1
27 24 25 1
28 25 26 1
29 26 27 1
30 24 27 1
31 28 26 1 #Down
32 28 29 1
33 29 30 1
34 30 31 1
35 31 32 1
36 32 33 1
37 28 33 1
38 32 34 1
39 34 35 1
40 35 36 1
41 37 38 2
42 38 39 1
43 39 40 2
44 40 41 1
45 41 42 2
46 37 42 1
47 42 43 1
48 43 44 1
49 43 45 2
50 43 46 2
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