| Entry |
|
|---|
| Name |
Camonsertib (USAN) |
|---|
| Formula |
C21H26N6O3
|
|---|
| Exact mass |
410.2066
|
|---|
| Mol weight |
410.4695
|
|---|
| Structure |
|
|---|
| Efficacy |
Antineoplastic, Serine/threonine kinase inhibitor |
|---|
| Target |
|
|---|
| Pathway |
|
|---|
| Brite |
Target-based classification of drugs [BR:br08310]
Protein kinases
Serine/threonine kinases
Other
ATR
D12321 Camonsertib (USAN)
|
|---|
| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 30
1 C8y C 9.8700 -20.3700
2 C8x C 9.8700 -18.9700
3 C8y C 11.0600 -18.2700
4 C8y C 12.3200 -18.9700
5 C8y C 12.3200 -20.3700
6 N5x N 11.0600 -21.0700
7 C8x C 13.6500 -18.5500
8 N5x N 14.4200 -19.6700
9 N4y N 13.6500 -20.7900
10 C8y C 14.0700 -22.1200
11 N5x N 15.4000 -22.5400
12 N4x N 15.4000 -23.9400
13 C8x C 14.0700 -24.4300
14 C8x C 13.2300 -23.2400
15 N1y N 8.6800 -21.0700
16 C1y C 8.6800 -22.4700
17 C1x C 7.4200 -23.1700
18 O2x O 6.2300 -22.4700
19 C1x C 6.2300 -21.0700
20 C1x C 7.4200 -20.3700
21 C1z C 11.0600 -16.8700
22 C1x C 9.8000 -16.2400
23 C1x C 12.3200 -16.3100
24 C1y C 12.6700 -14.9800
25 C1y C 9.5200 -14.8400
26 C1x C 11.8300 -13.7900
27 C1x C 10.4300 -13.7900
28 O2x O 11.1300 -15.5400
29 C1a C 9.8700 -23.1700
30 O1a O 12.2500 -17.5700
BOND 35
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 2
9 8 9 1
10 5 9 1
11 9 10 1
12 10 11 2
13 11 12 1
14 12 13 1
15 13 14 2
16 10 14 1
17 1 15 1
18 15 16 1
19 16 17 1
20 17 18 1
21 18 19 1
22 19 20 1
23 15 20 1
24 3 21 1
25 23 24 1
26 22 25 1
27 24 26 1
28 21 23 1
29 25 27 1
30 22 21 1
31 26 27 1
32 25 28 1 #Down
33 24 28 1 #Down
34 16 29 1 #Down
35 21 30 1 #Up
|
|---|
