| Entry |
|
|---|
| Name |
Tivumecirnon (USAN/INN) |
|---|
| Formula |
C24H27Cl2F3N6O
|
|---|
| Exact mass |
542.1576
|
|---|
| Mol weight |
543.412
|
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| Structure |
|
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| Remark |
|
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| Efficacy |
Antineoplastic, Chemokine receptor 4 antagonist |
|---|
| Target |
|
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| Pathway |
| hsa04060 | Cytokine-cytokine receptor interaction |
|
|---|
| Brite |
Target-based classification of drugs [BR:br08310]
Cytokines and receptors
Cytokine receptors
Chemokine receptors
CCR4 (CD194)
D12884 Tivumecirnon (USAN/INN)
|
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| Other DBs |
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| LinkDB |
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| KCF data |
ATOM 36
1 C8x C 14.6300 -12.3200
2 C8y C 14.6300 -13.7200
3 N5x N 13.4400 -14.4200
4 C8y C 12.1800 -13.7200
5 C8y C 12.1800 -12.3200
6 N5x N 13.4400 -11.6200
7 C8y C 10.8485 -11.8874
8 N5x N 10.0256 -13.0200
9 N4y N 10.8485 -14.1526
10 C1d C 10.4197 -10.5678
11 X F 10.0574 -9.2155
12 X F 9.0674 -10.9301
13 X F 11.7720 -10.2054
14 C1c C 10.4197 -15.4722
15 C1a C 9.0606 -15.7611
16 C8y C 11.3599 -16.5165
17 C8y C 10.9245 -17.8569
18 C8x C 11.8613 -18.8973
19 C8y C 13.2307 -18.6061
20 C8x C 13.6662 -17.2658
21 C8x C 12.7293 -16.2254
22 X Cl 9.5522 -18.1487
23 X Cl 14.1741 -19.6537
24 N1y N 15.8453 -14.4151
25 C1x C 16.2125 -15.7639
26 C1y C 17.5613 -15.3966
27 C1x C 17.1941 -14.0478
28 C1y C 18.7846 -16.0963
29 C1x C 18.7903 -17.4997
30 C1x C 20.0055 -18.1947
31 C1x C 21.2151 -17.4898
32 N1y N 21.2094 -16.0864
33 C1x C 19.9941 -15.3914
34 C1b C 22.4135 -15.3848
35 C1b C 23.6250 -16.0778
36 O1a O 24.7989 -15.3938
BOND 40
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
|
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