General
Preferred name
SELUMETINIB
Synonyms
AZD-6244 HYD-SULFATE, ARRY-886, ARRY-142886, AZD-6244 Hydrogen sulfate, AZD-6244, Selumetinib Sulfate ()
ARRY-142886 ()
AZD6244 ()
Array142886 ()
AZD6244 (Selumetinib) ()
AZD 6244 ()
AZD6244 (sulfate) ()
ARRY-142886 (sulfate) ()
Selumetinib (sulfate) ()
ARRY-886 ()
AZD-6244 ()
Selumetinib (AZD6244) ()
AZD6244 HYDROGEN SULFATE ()
Azd-6244 hydrogen sulphate ()
AZD-6244 Hydrogen sulfate ()
AZD6244 HYD-SULFATE ()
Azd6244 hydrogen sulphate ()
AZD-6244 HYD-SULFATE ()
Selumetinib sulphate ()
KOSELUGO ()
SELUMETINIB SULFATE ()
P&D ID
PD003249
CAS
606143-52-6
865610-79-3
943332-08-9
Tags
available
drug
probe
covalent binder
Approved by
EMA
FDA
PMDA
First approval
2020
Drug indication
Middle East Respiratory Syndrome (MERS)
Melanoma
Thyroid cancer
Non-small-cell lung cancer
Solid tumour/cancer
Discovery agent
Severe acute respiratory syndrome (SARS)
Pediatric neurofibromatosis type 1
Drug Status
approved
investigational
Max Phase
4.0
Probe info
Probe selectivity
protein-selective
Probe type
P&D approved
calculated probe
experimental probe
Probe sources
Chemical Probes.org
High-quality chemical probes
Tool Compound Set
Probe targets
Structure
Probe scores
P&D probe-likeness score
[[ v.score ]]%
Structure formats
[[ format ]]
[[ compound[format === 'MOL' ? 'molblock' : format.toLowerCase()] ]]
Description
(extracted from source data)
COMMENT This probe is an allosteric, non-ATP competitive and selective inhibitor of MEK1/2 kinase, a component of RAS-RAF-MEK-ERK growth pathway. It displays a remarkable selectivity for MEK1/2 with IC50 14 nM. It does not inhibit a range of other kinases at 10 uM concentration such as p38 alpha, EGFR, B-RAF, c-SRC and others. The compound does not inhibit phosphorylation of MEK1/2 by RAF yet inhibits phosphorylation of downstream ERK. Cell lines with V600E B-RAF mutation are the most sensitive to this compound. This inhibitor is orally bioavailable and inhibits tumor xenografts in mice at 10-100 mg/kg doses. This inhibitor is highly recommended for cell-based studies in combination with an ATP-competitive MEK inhibitor. The use of this probe to interrogate the role of MEK in vivo is not recommended because there are no data about tissue and organ distribution of the probe upon its administration to animals, and effect on MAPK pathway were not provided. Jun 30 2016 - 12:41am; Selumetinib has anti-proliferative activity in cell line harboring B-RAF and RAS mutations and inhibits MEK1/2 (14 nM). It is relatively selective when tested against a panel of kinases, and commercially available from many sources.  Jun 30 2016 - 12:41am
MOA Covalent;ATP noncompetitive inhibitor
DESCRIPTION Selumetinib is a selective, orally bioavailable MEK1/2 inhibitor . (GtoPdb)
MOA Covalent, ATP noncompetitive inhibitor (Chemical Probes.org)
DESCRIPTION inhibitor of MEK1 and MEK2 (Informer Set)
DESCRIPTION On April 2020 FDA approved selumetinib to treat neurofibromatosis type 1, a genetic disorder of the nervous system causing tumors to grow on nerves. (PKIDB)
DESCRIPTION Potent and selective DPP IV inhibitor (Tocris Bioactive Compound Library)
Cell lines
417
Organisms
1
Compound Sets
35
AdooQ Bioactive Compound Library
A10257
Axon Medchem Screening Library
1516
Cayman Chemical Bioactives
11599
ChEMBL Approved Drugs
CHEMBL1614701
CHEMBL2105684
ChEMBL Drugs
CHEMBL1614701
CHEMBL2105684
Chemical Probes.org
selumetinib
Clinical kinase drugs
CZ-OPENSCREEN Bioactive Library
Drug Repurposing Hub
DrugBank
DB11689
DrugBank Approved Drugs
DB11689
DrugCentral
5388
DrugCentral Approved Drugs
5388
DrugMAP
DMBJ1E0
DMC7W6R
EUbOPEN Chemogenomics Library
EUB0000129
Guide to Pharmacology
5665
High-quality chemical probes
PD003249
Informer Set
348991
JUMP-MOA Compound Set
10127622
Kinase Inhibitors (best-in-class)
LINCS compound set
10056-101
10056-999
LSP-MoA library (Laboratory of Systems Pharmacology)
CHEMBL1614701
LSP-OptimalKinase library (Laboratory of Systems Pharmacology)
CHEMBL1614701
MedChem Express Bioactive Compound Library
HY-50706
HY-50706A
NCATS Inxight Approved Drugs
6UH91I579U
NIH Approved Oncology Drugs
91146061
Novartis Chemogenetic Library (NIBR MoA Box)
PKIDB
ReFrame library
Selleckchem Bioactive Compound Library
AZD6244
TargetMol Bioactive Compound Library
T6218
Tocris Bioactive Compound Library
6815
Tool Compound Set
Welcome Trust Cancer Drugs
1062
1498
ZINC Tool Compounds
ZINC000031773258
External IDs
55
Properties
(calculated by RDKit )
Molecular Weight
456.0
Hydrogen Bond Acceptors
6
Hydrogen Bond Donors
3
Rotatable Bonds
6
Ring Count
3
Aromatic Ring Count
3
cLogP
3.53
TPSA
88.41
Fraction CSP3
0.18
Chiral centers
0.0
Largest ring
6.0
QED
0.39
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Target
MAP2K1
MAP2K2
MEK1, MEK2
Dual specificity mitogen-activated protein kinase kinase 1
MEK1
ERK1
ERK2
Apoptosis related,MEK
Compound status
clinical
Pathway
ERK MAPK signaling
MAPK
Apoptosis
MAPK/ERK Pathway
Kinase group
STE
Primary Target
MEK
MOA
ERK
Inhibitor
MEK1 Inhibitors
MEK2 Inhibitors
Inhibitors of Signal Transduction Pathways
MEK inhibitor
Member status
member
Target class
Protein kinase
Kinase
Orthogonal probe
Trametinib
Therapeutic Class
Antiviral Agents
Recommended Cell Concentration
1 µM
Source data