| Entry |
|
|---|
| Name |
Nuvisertib hydrochloride (USAN) |
|---|
| Formula |
C22H25F3N4O. HCl
|
|---|
| Exact mass |
454.1747
|
|---|
| Mol weight |
454.91
|
|---|
| Structure |
|
|---|
| Remark |
|
|---|
| Efficacy |
Antineoplastic, Serine/threonine kinase inhibitor |
|---|
| Comment |
Treatment of myelofibrosis
|
|---|
| Target |
|
|---|
| Pathway |
|
|---|
| Brite |
Target-based classification of drugs [BR:br08310]
Protein kinases
Serine/threonine kinases
CAMK group
PIM1
D13180 Nuvisertib hydrochloride (USAN)
|
|---|
| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 31
1 C8y C 20.5233 -13.5888
2 N4y N 20.5233 -14.9897
3 N5x N 19.3325 -15.6902
4 C8y C 18.0717 -14.9897
5 C8x C 18.0717 -13.5888
6 C8x C 19.3325 -12.8884
7 C8y C 21.8542 -15.4100
8 C8x C 22.6947 -14.2893
9 N5x N 21.8542 -13.1685
10 C8y C 22.2744 -16.7409
11 C8x C 21.2938 -17.7215
12 C8x C 21.5740 -19.0524
13 C8x C 22.9048 -19.4726
14 C8y C 23.9555 -18.4920
15 C8x C 23.6753 -17.1611
16 N1b N 16.8809 -15.6902
17 C1y C 15.6201 -14.9897
18 C1x C 15.6201 -13.5888
19 C1x C 14.4294 -12.8884
20 C1y C 13.2386 -13.5888
21 C1x C 13.2386 -15.0598
22 C1x C 14.4294 -15.6902
23 C1d C 11.9778 -12.8884
24 O1a O 10.7870 -12.1879
25 C1a C 12.6782 -11.6976
26 C1a C 11.2773 -14.1492
27 C1d C 25.2864 -18.9123
28 X F 26.6173 -19.2625
29 X F 25.6366 -17.5814
30 X F 24.9362 -20.2431
31 X Cl 26.1100 -12.7400
BOND 33
1 1 2 1
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 2
9 8 9 1
10 1 9 2
11 7 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 4 16 1
19 17 16 1 #Down
20 17 18 1
21 18 19 1
22 19 20 1
23 20 21 1
24 21 22 1
25 17 22 1
26 20 23 1 #Up
27 23 24 1
28 23 25 1
29 23 26 1
30 14 27 1
31 27 28 1
32 27 29 1
33 27 30 1
|
|---|
