| Entry |
|
|---|
| Name |
Ceralasertib (JAN/USAN/INN) |
|---|
| Formula |
C20H24N6O2S
|
|---|
| Exact mass |
412.1681
|
|---|
| Mol weight |
412.51
|
|---|
| Structure |
|
|---|
| Efficacy |
Antineoplastic, Serine/threonine kinase inhibitor |
|---|
| Target |
|
|---|
| Pathway |
|
|---|
| Brite |
Target-based classification of drugs [BR:br08310]
Protein kinases
Serine/threonine kinases
Other
ATR
D11787 Ceralasertib (JAN/USAN/INN)
|
|---|
| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 29
1 C8x C 10.1500 -15.6100
2 C8x C 10.1500 -17.0100
3 N5x N 11.3400 -17.7100
4 C8y C 12.6000 -17.0100
5 C8y C 12.6000 -15.6100
6 C8y C 11.3400 -14.9100
7 N4x N 13.9300 -17.4300
8 C8x C 14.7000 -16.3100
9 C8x C 13.9300 -15.1900
10 C8y C 11.3400 -13.5100
11 N5x N 12.5300 -12.8100
12 C8y C 12.5300 -11.4100
13 C8x C 11.3400 -10.7100
14 C8y C 10.1500 -11.4100
15 N5x N 10.1500 -12.8100
16 N1y N 8.9600 -10.7100
17 C1x C 8.9600 -9.3100
18 C1x C 7.7000 -8.6100
19 O2x O 6.5100 -9.3100
20 C1x C 6.5100 -10.7100
21 C1y C 7.7000 -11.4100
22 C1a C 7.7000 -12.8100
23 C1z C 13.7200 -10.7100
24 S4a S 14.9100 -11.4100
25 C1x C 13.0200 -9.5200
26 C1x C 14.4200 -9.5200
27 O3c O 16.1281 -10.7199
28 C1a C 13.9201 -12.3999
29 N2a N 15.8999 -12.3999
BOND 33
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 4 7 1
8 7 8 1
9 8 9 2
10 5 9 1
11 6 10 1
12 10 11 2
13 11 12 1
14 12 13 2
15 13 14 1
16 14 15 2
17 10 15 1
18 14 16 1
19 16 17 1
20 17 18 1
21 18 19 1
22 19 20 1
23 20 21 1
24 16 21 1
25 21 22 1 #Down
26 12 23 1
27 24 23 1 #Up
28 25 26 1
29 26 23 1
30 23 25 1
31 24 27 2
32 24 28 1
33 24 29 2
|
|---|
