| Entry |
|
|---|
| Name |
Onvansertib (USAN) |
|---|
| Formula |
C24H27F3N8O3
|
|---|
| Exact mass |
532.2158
|
|---|
| Mol weight |
532.52
|
|---|
| 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
D11458 Onvansertib (USAN)
|
|---|
| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 38
1 N1y N 26.4112 -18.7852
2 C1x C 26.4112 -17.3884
3 C1x C 25.2239 -16.6900
4 N1y N 23.9668 -17.3884
5 C1x C 23.9668 -18.7852
6 C1x C 25.2239 -19.4836
7 C1a C 27.5984 -19.4836
8 C8y C 22.7795 -16.6900
9 C8x C 22.7795 -15.2932
10 C8x C 21.5224 -14.5949
11 C8y C 20.3352 -15.2932
12 C8y C 20.3352 -16.6900
13 C8x C 21.5224 -17.3884
14 N1b N 19.1479 -17.3884
15 C8y C 17.9607 -16.6900
16 O2a O 19.1479 -14.5949
17 C1d C 19.1479 -13.1981
18 N5x N 17.9607 -15.2932
19 C8x C 16.7036 -14.5949
20 C8y C 15.5163 -15.2932
21 C8y C 15.5163 -16.6900
22 N5x N 16.7036 -17.3884
23 C1x C 14.3290 -14.5949
24 C1x C 13.0719 -15.2932
25 C8y C 13.0719 -16.6900
26 C8y C 14.3290 -17.3884
27 C8y C 12.0244 -17.5979
28 N5x N 12.6529 -18.9249
29 N4y N 13.9799 -18.7852
30 C5a C 10.6276 -17.3186
31 N1a N 9.7197 -18.3662
32 O5a O 10.2086 -15.9916
33 C1b C 14.9576 -19.7629
34 C1b C 16.3544 -19.4836
35 O1a O 17.2623 -20.5312
36 X F 20.5447 -13.1981
37 X F 17.7511 -13.1981
38 X F 19.1479 -11.8013
BOND 42
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
|
|---|
