| Entry |
|
|---|
| Name |
Elraglusib (USAN) |
|---|
| Formula |
C22H13FN2O5
|
|---|
| Exact mass |
404.0809
|
|---|
| Mol weight |
404.35
|
|---|
| Structure |
|
|---|
| Efficacy |
Antineoplastic, Glycogen synthase kinase-3 beta inhibitor |
|---|
| Target |
|
|---|
| Pathway |
|
|---|
| Brite |
Target-based classification of drugs [BR:br08310]
Protein kinases
Serine/threonine kinases
CMGC group
GSK3B
D12304 Elraglusib (USAN)
|
|---|
| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 30
1 C8y C 13.3000 -16.9400
2 C8y C 13.3000 -18.3400
3 C8x C 14.5124 -19.0400
4 C8y C 15.7249 -18.3400
5 C8y C 15.7249 -16.9400
6 C8x C 14.5124 -16.2400
7 C8y C 11.9685 -16.5074
8 C8x C 11.1456 -17.6400
9 N4y N 11.9685 -18.7726
10 O2x O 17.0564 -18.7726
11 C1x C 17.8793 -17.6400
12 O2x O 17.0564 -16.5074
13 C2y C 11.5397 -15.1878
14 C5x C 12.3650 -14.0517
15 N1x N 11.5396 -12.9157
16 C5x C 10.2042 -13.3497
17 C2y C 10.2042 -14.7539
18 O5x O 13.7899 -14.0513
19 O5x O 9.0915 -12.5415
20 C8y C 9.0745 -15.5748
21 C8y C 7.7565 -15.1463
22 C8y C 6.9417 -16.2673
23 O2x O 7.7560 -17.3887
24 C8x C 9.0742 -16.9607
25 C8x C 7.1874 -13.8672
26 C8y C 5.7951 -13.7205
27 C8x C 4.9802 -14.8416
28 C8x C 5.5494 -16.1207
29 X F 5.2282 -12.4466
30 C1a C 11.5397 -20.0922
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 1 7 1
8 7 8 2
9 8 9 1
10 2 9 1
11 4 10 1
12 10 11 1
13 11 12 1
14 5 12 1
15 7 13 1
16 13 14 1
17 14 15 1
18 15 16 1
19 16 17 1
20 13 17 2
21 14 18 2
22 16 19 2
23 17 20 1
24 20 21 1
25 21 22 1
26 22 23 1
27 23 24 1
28 20 24 2
29 21 25 2
30 25 26 1
31 26 27 2
32 27 28 1
33 22 28 2
34 26 29 1
35 9 30 1
|
|---|
