General Information of the Compound
Compound ID
CP0056888
Compound Name
CHEBI:75998
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Synonyms
33E86K87QN
A1-01871
AK174783
CHEBI:75998
GSK 1120212
GSK-1120212
GSK1120212
JTP 74057
JTP-74057
Mekinist
Trametinib
Trametinib (GSK1120212)
Trametinib (GSK1120212JTP 74057)
Trametinib (MEK inhibitor)
UNII-33E86K87QN
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Structure
Formula
C26H23FIN5O4
Molecular Weight
615.403
Canonical SMILES
CC(=O)Nc1cccc(c1)-n1c2c(C)c(=O)n(C)c(Nc3ccc(I)cc3F)c2c(=O)n(C2CC2)c1=O
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InChI
InChI=1S/C26H23FIN5O4/c1-13-22-21(23(31(3)24(13)35)30-20-10-7-15(28)11-19(20)27)25(36)33(17-8-9-17)26(37)32(22)18-6-4-5-16(12-18)29-14(2)34/h4-7,10-12,17,30H,8-9H2,1-3H3,(H,29,34)
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InChIKey
LIRYPHYGHXZJBZ-UHFFFAOYSA-N
CAS
871700-17-3
Physicochemical Property
logP
3.94012
Rotatable Bonds
5
Heavy Atom Count
37
Polar Areas
107.13
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
8
Complexity
37

"RO5" indicates the cutoff set by lipinski's rule of five:

(1) Molecular weight less than 500 Dalton;

(2) xlogp less than 5;

(3) No more than 5 hbonddonor (Hydrogen Bond Donor Count);

(4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count);

(5) No more than 10 rotbonds (Rotatable Bond Count).

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PubChem ID
CID: 11707110
SID: 117699169
ChEMBL ID
CHEMBL2103875
DrugBank ID
DB08911
Map of Molecular Bioactivity Related to the Compound
Map of Molecular Bioactivity Related to the Compound

Compound
Cell Line
Protein

Bioactivity Value:

<= 0.1 μM
> 0.1 μM and <= 10 μM
> 10 μM
Imprecise Activity
Table of Molecular Bioactivities Related to the Compound
Protein ID: PT01546, ATP-dependent translocase ABCB1
 Protein Info 
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000135 A2780ADR
 Cell Line Info 
Homo sapiens (Human)  1
1
EC50 = 247 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( Trametinib )
Drug Name Trametinib
Company GlaxoSmithKline
Indication
Melanoma
Approved
Drug 2 ( Trametinib )
Drug Name Trametinib
Company GlaxoSmithKline
Indication
Metastatic melanoma
Approved
Severe acute respiratory syndrome (SARS)
Investigative
Middle East Respiratory Syndrome (MERS)
Investigative
Target(s)
HUMAN ERK activator kinase 2 (MEK2)
 Target Info 
Inhibitor
HUMAN ERK activator kinase 1 (MEK1)
 Target Info 
Inhibitor