| Entry |
|
|---|
| Name |
Berzosertib (USAN/INN) |
|---|
| Formula |
C24H25N5O3S
|
|---|
| Exact mass |
463.1678
|
|---|
| Mol weight |
463.55
|
|---|
| Structure |
|
|---|
| Efficacy |
Antineoplastic, Serine/threonine kinase inhibitor |
|---|
| Comment |
Treatment of solid tumors
|
|---|
| Target |
|
|---|
| Pathway |
|
|---|
| Brite |
Target-based classification of drugs [BR:br08310]
Protein kinases
Serine/threonine kinases
Other
ATR
D11148 Berzosertib (USAN/INN)
|
|---|
| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 33
1 C8x C 16.8700 -17.5000
2 C8y C 16.8700 -18.9000
3 C8x C 18.0600 -19.6000
4 C8x C 19.3200 -18.9000
5 C8y C 19.3200 -17.5000
6 C8x C 18.0600 -16.8000
7 S4a S 15.6800 -19.6000
8 C1c C 14.4900 -18.9000
9 C1a C 13.3000 -19.6000
10 C1a C 14.4900 -17.5000
11 O3c O 14.7000 -20.5800
12 O3c O 16.6600 -20.5800
13 C8y C 20.5100 -16.8000
14 N5x N 21.7000 -17.5000
15 C8y C 22.9600 -16.8000
16 C8y C 22.9600 -15.4000
17 N5x N 21.7700 -14.7000
18 C8x C 20.5100 -15.4000
19 N1a N 24.1500 -14.7000
20 C8y C 24.1500 -17.5000
21 C8x C 24.6400 -18.8300
22 C8y C 26.0400 -18.8300
23 N5x N 26.4600 -17.5000
24 O2x O 25.2700 -16.6600
25 C8y C 27.2300 -19.5300
26 C8x C 27.2300 -20.9300
27 C8x C 28.4200 -21.6300
28 C8y C 29.6800 -20.9300
29 C8x C 29.6800 -19.5300
30 C8x C 28.4200 -18.8300
31 C1b C 30.8700 -21.6300
32 N1b N 32.1300 -20.9300
33 C1a C 33.3200 -21.7000
BOND 36
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 2 7 1
8 7 8 1
9 8 9 1
10 8 10 1
11 7 11 2
12 7 12 2
13 5 13 1
14 13 14 2
15 14 15 1
16 15 16 2
17 16 17 1
18 17 18 2
19 13 18 1
20 16 19 1
21 15 20 1
22 20 21 2
23 21 22 1
24 22 23 2
25 23 24 1
26 20 24 1
27 25 26 2
28 26 27 1
29 27 28 2
30 28 29 1
31 29 30 2
32 25 30 1
33 25 22 1
34 28 31 1
35 31 32 1
36 32 33 1
|
|---|
