| Entry |
|
|---|
| Name |
Selumetinib sulfate (JAN/USAN);
Koselugo (TN) |
|---|
| Product |
|
|---|
| Formula |
C17H15BrClFN4O3. H2SO4
|
|---|
| Exact mass |
553.9674
|
|---|
| Mol weight |
555.7599
|
|---|
| Structure |
|
|---|
| Simcomp |
|
|---|
| Class |
Antineoplastic
DG03137 MEK kinase inhibitor
Metabolizing enzyme substrate
DG01633 CYP3A/CYP3A4 substrate
DG02913 CYP3A4 substrate
DG02924 UGT substrate
|
|---|
| Remark |
| Product (DG01414): | D10024<US> |
|
|---|
| Efficacy |
Antineoplastic, Mitogen-activated extracellular signal-regulated kinase (MEK) inhibitor |
|---|
| Disease |
Neurofibromatosis type 1 [DS: H01437] |
|---|
| Target |
|
|---|
| Pathway |
|
|---|
| Metabolism |
|
|---|
| Interaction |
|
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| 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)
Target-based classification of drugs [BR:br08310]
Protein kinases
Serine/threonine kinases
STE group
MAP2K1 (MEK1)
D10024 Selumetinib sulfate (JAN/USAN) <US>
MAP2K2 (MEK2)
D10024 Selumetinib sulfate (JAN/USAN) <US>
New drug approvals in the USA [br08319.html]
New molecular entities and new therapeutic biological products
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
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| Other DBs |
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| LinkDB |
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| 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
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