| Entry |
|
|---|
| Name |
Onvansertib fumarate (USAN) |
|---|
| Formula |
C24H27F3N8O3. C4H4O4
|
|---|
| Exact mass |
648.2268
|
|---|
| Mol weight |
648.59
|
|---|
| Structure |
|
|---|
| Simcomp |
|
|---|
| Remark |
|
|---|
| Efficacy |
Antineoplastic, Polo-like kinase inhibitor |
|---|
| Target |
|
|---|
| Pathway |
|
|---|
| Brite |
Target-based classification of drugs [BR:br08310]
Protein kinases
Serine/threonine kinases
Other
PLK1
D11459 Onvansertib fumarate (USAN)
|
|---|
| Other DBs |
|
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| LinkDB |
|
|---|
| KCF data |
ATOM 46
1 N1y N 26.3758 -18.7996
2 C1x C 26.3758 -17.3967
3 C1x C 25.1833 -16.6952
4 N1y N 23.9206 -17.3967
5 C1x C 23.9206 -18.7996
6 C1x C 25.1833 -19.5011
7 C1a C 27.5683 -19.5011
8 C8y C 22.7281 -16.6952
9 C8x C 22.7281 -15.2922
10 C8x C 21.4654 -14.5908
11 C8y C 20.3430 -15.2922
12 C8y C 20.3430 -16.6952
13 C8x C 21.4654 -17.3967
14 N1b N 19.1505 -17.3967
15 C8y C 17.9580 -16.6952
16 O2a O 19.1505 -14.5908
17 C1d C 19.1505 -13.2580
18 N5x N 17.9580 -15.2922
19 C8x C 16.6954 -14.5908
20 C8y C 15.5028 -15.2922
21 C8y C 15.5028 -16.6952
22 N5x N 16.6954 -17.3967
23 C1x C 14.3103 -14.5908
24 C1x C 13.0477 -15.2922
25 C8y C 13.0477 -16.6952
26 C8y C 14.3103 -17.3967
27 C8y C 11.9954 -17.6071
28 N5x N 12.6268 -18.9399
29 N4y N 13.9596 -18.7996
30 C5a C 10.5925 -17.3265
31 N1a N 9.6806 -18.3788
32 O5a O 10.1716 -15.9937
33 C1b C 14.9417 -19.7817
34 C1b C 16.3446 -19.5011
35 O1a O 17.2565 -20.5533
36 X F 20.4833 -13.2580
37 X F 17.7476 -13.2580
38 X F 19.1505 -11.8550
39 C6a C 29.7500 -15.8900
40 C2b C 30.9624 -16.5900
41 O6a O 28.5376 -16.5900
42 O6a O 29.7500 -14.4900
43 C2b C 32.1579 -15.8996
44 C6a C 33.3453 -16.5851
45 O6a O 34.5365 -15.8971
46 O6a O 33.3453 -17.9851
BOND 49
1 1 2 1
2 2 3 1
3 3 4 1
4 4 5 1
5 5 6 1
6 1 6 1
7 1 7 1
8 4 8 1
9 8 9 2
10 9 10 1
11 10 11 2
12 11 12 1
13 12 13 2
14 8 13 1
15 12 14 1
16 14 15 1
17 11 16 1
18 16 17 1
19 15 18 2
20 18 19 1
21 19 20 2
22 20 21 1
23 21 22 2
24 15 22 1
25 20 23 1
26 23 24 1
27 24 25 1
28 25 26 2
29 21 26 1
30 25 27 1
31 27 28 2
32 28 29 1
33 26 29 1
34 27 30 1
35 30 31 1
36 30 32 2
37 29 33 1
38 33 34 1
39 34 35 1
40 17 36 1
41 17 37 1
42 17 38 1
43 39 40 1
44 39 41 1
45 39 42 2
46 40 43 2
47 43 44 1
48 44 45 1
49 44 46 2
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