| Entry |
|
|---|
| Name |
Selumetinib sulfate (JAN/USAN);
Koselugo (TN) |
|---|
| Product |
|
|---|
| Formula |
C17H15BrClFN4O3. H2SO4
|
|---|
| Exact mass |
553.9674
|
|---|
| Mol weight |
555.7599
|
|---|
| Structure |
|
|---|
| Simcomp |
|
|---|
| Class |
|
|---|
| Remark |
| Therapeutic category: | 4291 |
| Product (DG01414): | D10024<JP/US> |
|
|---|
| Efficacy |
Antineoplastic, Mitogen-activated extracellular signal-regulated kinase (MEK) inhibitor |
|---|
| Disease |
Neurofibromatosis type 1 [DS: H01437] |
|---|
| Target |
|
|---|
| Pathway |
|
|---|
| Metabolism |
|
|---|
| Interaction |
|
|---|
| Brite |
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
L ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
L01 ANTINEOPLASTIC AGENTS
L01E PROTEIN KINASE INHIBITORS
L01EE Mitogen-activated protein kinase (MEK) inhibitors
L01EE04 Selumetinib
D10024 Selumetinib sulfate (JAN/USAN) <US>
USP drug classification [BR:br08302]
Antineoplastics
Molecular Target Inhibitors
Selumetinib
D10024 Selumetinib sulfate (JAN/USAN)
Therapeutic category of drugs in Japan [BR:br08301]
4 Agents affecting cellular function
42 Antineoplastics
429 Miscellaneous
4291 Other Antitumors
D10024 Selumetinib sulfate (JAN/USAN)
Drug groups [BR:br08330]
Antineoplastic
DG03137 MEK inhibitor
DG01414 Selumetinib
D10024 Selumetinib sulfate
Metabolizing enzyme substrate
DG01892 CYP1A2 substrate
DG01414 Selumetinib
D10024 Selumetinib sulfate
DG01642 CYP2C9 substrate
DG01414 Selumetinib
D10024 Selumetinib sulfate
DG01639 CYP2C19 substrate
DG01414 Selumetinib
D10024 Selumetinib sulfate
DG02855 CYP2E1 substrate
DG01414 Selumetinib
D10024 Selumetinib sulfate
DG01633 CYP3A/CYP3A4 substrate
DG02913 CYP3A4 substrate
DG01414 Selumetinib
D10024 Selumetinib sulfate
DG02925 CYP3A5 substrate
DG01414 Selumetinib
D10024 Selumetinib sulfate
DG02924 UGT substrate
DG03183 UGT1A1 substrate
DG01414 Selumetinib
D10024 Selumetinib sulfate
DG03184 UGT1A3 substrate
DG01414 Selumetinib
D10024 Selumetinib sulfate
Drug classes [BR:br08332]
Antineoplastic
DG03137 MEK inhibitor
D10024 Selumetinib sulfate
Target-based classification of drugs [BR:br08310]
Protein kinases
Serine/threonine kinases
STE group
MAP2K1 (MEK1)
D10024 Selumetinib sulfate (JAN/USAN) <JP/US>
MAP2K2 (MEK2)
D10024 Selumetinib sulfate (JAN/USAN) <JP/US>
New drug approvals in the USA [br08319.html]
New molecular entities and new therapeutic biological products
D10024
New drug approvals in Japan [br08318.html]
Drugs with new active ingredients
D10024
New drug approvals in the USA, Europe and Japan [br08328.html]
Approval dates by FDA, EMA and PMDA
D10024
Drug metabolizing enzymes and transporters [br08309.html]
Drug metabolizing enzymes
D10024
Drug groups [BR:br08330]
Antineoplastic
DG03137 MEK inhibitor
DG01414 Selumetinib
Metabolizing enzyme substrate
DG01892 CYP1A2 substrate
DG01414 Selumetinib
DG01642 CYP2C9 substrate
DG01414 Selumetinib
DG01639 CYP2C19 substrate
DG01414 Selumetinib
DG02855 CYP2E1 substrate
DG01414 Selumetinib
DG01633 CYP3A/CYP3A4 substrate
DG02913 CYP3A4 substrate
DG01414 Selumetinib
DG02925 CYP3A5 substrate
DG01414 Selumetinib
DG02924 UGT substrate
DG03183 UGT1A1 substrate
DG01414 Selumetinib
DG03184 UGT1A3 substrate
DG01414 Selumetinib
|
|---|
| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 32
1 C8y C 28.8400 -21.4900
2 C8y C 28.8400 -22.8900
3 C8x C 27.6500 -23.5900
4 C8y C 26.3900 -22.8900
5 C8y C 26.3900 -21.4900
6 C8y C 27.6500 -20.7900
7 N5x N 30.1700 -21.0700
8 C8x C 31.0100 -22.1900
9 N4y N 30.1700 -23.3800
10 X F 27.6500 -19.3900
11 N1b N 25.2000 -20.7900
12 C5a C 25.2000 -23.6600
13 N1b N 23.9400 -22.9600
14 O5a O 25.2000 -25.0600
15 O2a O 22.8200 -23.5900
16 C1b C 21.5600 -22.9600
17 C8y C 25.2000 -19.3900
18 C8y C 24.0100 -18.6900
19 C8x C 24.0100 -17.2900
20 C8y C 25.2000 -16.5900
21 C8x C 26.3900 -17.2900
22 C8x C 26.3900 -18.6900
23 X Br 25.2000 -15.1900
24 X Cl 22.7500 -19.3900
25 C1a C 30.5900 -24.7100
26 C1b C 20.3700 -23.5900
27 O1a O 19.1800 -22.9600
28 S4a S 33.3900 -18.0600
29 O1d O 33.3900 -16.6600
30 O1d O 33.3900 -19.4600
31 O1d O 34.7900 -18.0600
32 O1d O 31.9900 -18.0600
BOND 33
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 6 10 1
12 5 11 1
13 4 12 1
14 12 13 1
15 12 14 2
16 13 15 1
17 15 16 1
18 11 17 1
19 17 18 2
20 18 19 1
21 19 20 2
22 20 21 1
23 21 22 2
24 17 22 1
25 20 23 1
26 18 24 1
27 9 25 1
28 16 26 1
29 26 27 1
30 28 29 2
31 28 30 2
32 28 31 1
33 28 32 1
|
|---|
