| Entry |
|
|---|
| Name |
Prexasertib (USAN/INN) |
|---|
| Formula |
C18H19N7O2
|
|---|
| Exact mass |
365.1600
|
|---|
| Mol weight |
365.39
|
|---|
| Structure |
|
|---|
| Efficacy |
Antineoplastic, Checkpoint kinase inhibitor |
|---|
| Comment |
Treatment of advanced cancer
|
|---|
| Target |
|
|---|
| Pathway |
|
|---|
| Brite |
Target-based classification of drugs [BR:br08310]
Protein kinases
Serine/threonine kinases
CAMK group
CHEK1
D11206 Prexasertib (USAN/INN)
|
|---|
| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 27
1 C8x C 6.4400 -17.7800
2 C8x C 6.4400 -19.1800
3 C8x C 7.6300 -19.8800
4 C8y C 8.8900 -19.1800
5 C8y C 8.8900 -17.7800
6 C8y C 7.6300 -17.0800
7 O2a O 7.6300 -15.6800
8 C1a C 6.4400 -14.9800
9 C8y C 10.0800 -17.0800
10 C8x C 11.3400 -17.6400
11 C8y C 12.3200 -16.5900
12 N5x N 11.6200 -15.4000
13 N4x N 10.2200 -15.6800
14 O2a O 10.0800 -19.8800
15 C1b C 11.2700 -19.1800
16 C1b C 12.4600 -19.8800
17 C1b C 13.6500 -19.1800
18 N1a N 14.8400 -19.8800
19 N1b N 13.5100 -17.2900
20 C8y C 14.7000 -16.5900
21 N5x N 15.9181 -17.2801
22 C8x C 17.1248 -16.5703
23 C8y C 17.1834 -15.1703
24 N5x N 15.8953 -14.4802
25 C8x C 14.6886 -15.1900
26 C3b C 18.3657 -14.4957
27 N3a N 19.5781 -13.7957
BOND 29
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 6 7 1
8 7 8 1
9 5 9 1
10 9 10 2
11 10 11 1
12 11 12 2
13 12 13 1
14 9 13 1
15 4 14 1
16 14 15 1
17 15 16 1
18 16 17 1
19 17 18 1
20 11 19 1
21 19 20 1
22 20 21 2
23 21 22 1
24 22 23 2
25 23 24 1
26 24 25 2
27 20 25 1
28 23 26 1
29 26 27 3
|
|---|
