| Entry |
|
|---|
| Name |
Rabusertib (USAN/INN) |
|---|
| Formula |
C18H22BrN5O3
|
|---|
| Exact mass |
435.0906
|
|---|
| Mol weight |
436.30
|
|---|
| Structure |
|
|---|
| Efficacy |
Antineoplastic, Checkpoint kinase (serine/threonine-protein kinase) inhibitor |
|---|
| Target |
|
|---|
| Pathway |
|
|---|
| Brite |
Target-based classification of drugs [BR:br08310]
Protein kinases
Serine/threonine kinases
CAMK group
CHEK1
D10397 Rabusertib (USAN/INN)
|
|---|
| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 27
1 C8y C 13.7871 -13.3603
2 C8y C 13.7871 -14.7594
3 C8x C 14.9988 -15.4589
4 C8y C 16.2105 -14.7594
5 C8y C 16.2105 -13.3603
6 C8x C 14.9988 -12.6607
7 O2a O 17.4221 -15.4589
8 O5a O 18.6337 -14.7594
9 C5a C 18.6337 -13.3603
10 N1b N 17.4221 -12.6607
11 N5x N 21.0571 -14.7594
12 C8y C 21.0571 -13.3603
13 N1b N 19.8455 -12.6607
14 C8x C 22.2687 -15.4589
15 C8y C 23.4804 -14.7594
16 N5x N 23.4804 -13.3603
17 C8x C 22.2687 -12.6607
18 C1b C 17.4221 -16.8580
19 C1y C 18.6358 -17.5588
20 O2x O 18.6357 -18.9565
21 C1x C 19.8475 -19.6561
22 C1x C 21.0591 -18.9566
23 N1x N 21.0591 -17.5588
24 C1x C 19.8475 -16.8592
25 X Br 12.5755 -12.6607
26 C1a C 12.5755 -15.4589
27 C1a C 24.7147 -15.4723
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 4 7 1
8 8 9 2
9 9 10 1
10 5 10 1
11 11 12 1
12 12 13 1
13 9 13 1
14 11 14 2
15 14 15 1
16 15 16 2
17 16 17 1
18 12 17 2
19 7 18 1
20 19 18 1 #Down
21 19 20 1
22 20 21 1
23 21 22 1
24 22 23 1
25 23 24 1
26 19 24 1
27 1 25 1
28 2 26 1
29 15 27 1
|
|---|
