| Entry |
|
|---|
| Name |
Pimasertib hydrochloride (USAN) |
|---|
| Formula |
C15H15FIN3O3. HCl
|
|---|
| Exact mass |
466.9909
|
|---|
| Mol weight |
467.66
|
|---|
| Structure |
|
|---|
| Simcomp |
|
|---|
| Class |
Antineoplastic
DG03137 MEK inhibitor
|
|---|
| Remark |
|
|---|
| Efficacy |
Antineoplastic, Mitogen-activated extracellular signal-regulated kinase (MEK) inhibitor |
|---|
| Target |
|
|---|
| Pathway |
|
|---|
| Brite |
Drug groups [BR:br08330]
Antineoplastic
DG03137 MEK inhibitor
DG01410 Pimasertib
D10486 Pimasertib hydrochloride
Target-based classification of drugs [BR:br08310]
Protein kinases
Serine/threonine kinases
STE group
MAP2K (MEK)
D10486 Pimasertib hydrochloride (USAN)
Drug groups [BR:br08330]
Antineoplastic
DG03137 MEK inhibitor
DG01410 Pimasertib
|
|---|
| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 24
1 C8x C 18.6200 -13.9300
2 C8x C 18.6200 -15.3300
3 C8y C 19.8800 -16.0300
4 C8y C 21.0700 -15.3300
5 C8x C 21.0700 -13.9300
6 C8y C 19.8800 -13.2300
7 X I 19.8800 -11.8300
8 N1b N 19.8800 -17.4300
9 C8y C 18.6200 -18.2000
10 C8x C 17.4300 -17.5000
11 N5x N 16.2400 -18.2000
12 C8x C 16.2400 -19.6000
13 C8x C 17.4300 -20.3000
14 C8y C 18.6200 -19.6000
15 C5a C 19.8800 -20.3000
16 N1b N 21.0700 -19.6000
17 C1b C 22.2600 -20.3000
18 C1c C 23.4500 -19.6000
19 C1b C 24.6400 -20.2300
20 O1a O 25.8300 -19.6000
21 O5a O 19.8800 -21.7000
22 X F 22.3300 -16.1000
23 O1a O 23.4500 -18.1300
24 X Cl 28.0700 -15.1900
BOND 24
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 6 7 1
8 3 8 1
9 8 9 1
10 9 10 2
11 10 11 1
12 11 12 2
13 12 13 1
14 13 14 2
15 9 14 1
16 14 15 1
17 15 16 1
18 16 17 1
19 17 18 1
20 18 19 1
21 19 20 1
22 15 21 2
23 4 22 1
24 18 23 1 #Down
|
|---|
