| Entry |
|
|---|
| Name |
Emavusertib maleate (USAN) |
|---|
| Formula |
C24H25N7O5. C4H4O4
|
|---|
| Exact mass |
607.2027
|
|---|
| Mol weight |
607.57
|
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| Structure |
|
|---|
| Remark |
|
|---|
| Efficacy |
Antineoplastic, Serine/threonine kinase inhibitor |
|---|
| Comment |
Treatment of hematologic malignancies
|
|---|
| Target |
|
|---|
| Pathway |
| hsa04620 | Toll-like receptor signaling pathway |
| hsa04621 | NOD-like receptor signaling pathway |
|
|---|
| Brite |
Target-based classification of drugs [BR:br08310]
Protein kinases
Serine/threonine kinases
TKL group
IRAK4
D12533 Emavusertib maleate (USAN)
|
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| Other DBs |
|
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| LinkDB |
|
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| KCF data |
ATOM 44
1 C8x C 20.8035 -15.5501
2 C8y C 20.8035 -16.9510
3 C8y C 21.9943 -17.6514
4 N5x N 23.1850 -16.9510
5 C8y C 23.1850 -15.5501
6 C8y C 21.9943 -14.7796
7 N5x N 24.2357 -14.5694
8 C8y C 23.6754 -13.3086
9 O2x O 22.2744 -13.4487
10 N1y N 24.3758 -12.0478
11 C1x C 25.7767 -12.0478
12 C1x C 26.4772 -10.8570
13 O2x O 25.7767 -9.6663
14 C1x C 24.3758 -9.6663
15 C1x C 23.6754 -10.8570
16 N1y N 21.9943 -19.0524
17 C1x C 20.8735 -19.8929
18 C1x C 21.2938 -21.2238
19 C1y C 22.6947 -21.2238
20 C1x C 23.1150 -19.8929
21 N1b N 19.5427 -17.6514
22 C5a C 18.3519 -16.9510
23 C8y C 17.1611 -17.6514
24 O5a O 18.3519 -15.5501
25 N5x N 15.8303 -17.2312
26 C8y C 15.0598 -18.3519
27 O2x O 15.9003 -19.4726
28 C8x C 17.2312 -18.9823
29 C8y C 13.6589 -18.4219
30 C8x C 12.9584 -17.1611
31 C8y C 11.5575 -17.2312
32 N5x N 10.8570 -18.4219
33 C8x C 11.5575 -19.6828
34 C8x C 13.0284 -19.6127
35 C1a C 10.8570 -15.9704
36 O1a O 23.5353 -22.3445
37 C2b C 12.9742 -9.0902
38 C2b C 14.3680 -9.0902
39 C6a C 15.0648 -10.3446
40 C6a C 12.2773 -10.3446
41 O6a O 10.8836 -10.3446
42 O6a O 12.9742 -11.5292
43 O6a O 16.4586 -10.3446
44 O6a O 14.3680 -11.5292
BOND 48
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 6 9 1
11 8 10 1
12 10 11 1
13 11 12 1
14 12 13 1
15 13 14 1
16 14 15 1
17 10 15 1
18 3 16 1
19 16 17 1
20 17 18 1
21 18 19 1
22 19 20 1
23 16 20 1
24 2 21 1
25 21 22 1
26 22 23 1
27 22 24 2
28 23 25 1
29 25 26 2
30 26 27 1
31 27 28 1
32 23 28 2
33 26 29 1
34 29 30 2
35 30 31 1
36 31 32 2
37 32 33 1
38 33 34 2
39 29 34 1
40 31 35 1
41 19 36 1 #Down
42 37 38 2
43 38 39 1
44 37 40 1
45 40 41 1
46 40 42 2
47 39 43 2
48 39 44 1
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