General
Preferred name
U-0126
Synonyms
U0126 ()
U0126 Ethanol ()
U0126-EtOH ()
U 0126 ()
P&D ID
PD016353
CAS
218601-62-8
1173097-76-1
109511-58-2
Tags
available
drug candidate
Drug indication
Discovery agent
Drug Status
investigational
Structure
Probe scores
P&D probe-likeness score
[[ v.score ]]%
Structure formats
[[ format ]]
[[ compound[format === 'MOL' ? 'molblock' : format.toLowerCase()] ]]
Description
(extracted from source data)
DESCRIPTION PDE3 inhibitor (Tocris Bioactive Compound Library)
DESCRIPTION Potent, selective inhibitor of MEK1 and 2 (Tocriscreen Total)
DESCRIPTION U0126 is a MAPK inhibitor with antitumor activity. It inhibits MEK1 and MEK2 with IC50 values of 72 nM and 58 nM, respectively. U0126 inhibits tumorigenicity of liver cancer stem cells. (BOC Sciences Bioactive Compounds)
DESCRIPTION U0126-EtOH is a highly selective inhibitor of MEK1/2 with IC50 of 0.07 μM/0.06 μM, 100-fold higher affinity for ΔN3-S218E/S222D MEK than PD98059. (BOC Sciences Bioactive Compounds)
Cell lines
6
Organisms
4
Compound Sets
18
AdooQ Bioactive Compound Library
A10957
Axon Medchem Screening Library
2520
BOC Sciences Bioactive Compounds
u0126-etoh-cas-1173097-76-1-item-84-307697
u0126-cas-109511-58-2-item-286148
Cayman Chemical Bioactives
70970
CZ-OPENSCREEN Bioactive Library
DrugBank
DB17060
DrugMAP
DM31OGF
Guide to Pharmacology
5282
LSP-MoA library (Laboratory of Systems Pharmacology)
CHEMBL34704
LSP-OptimalKinase library (Laboratory of Systems Pharmacology)
CHEMBL34704
MedChem Express Bioactive Compound Library
HY-12031
HY-12031A
Novartis Chemogenetic Library (NIBR MoA Box)
NURSA ligand set
nursa/index.jsf?doi=10.1621%2F78B72792E0
ReFrame library
TargetMol Bioactive Compound Library
T6223
Tocris Bioactive Compound Library
1144
Tocriscreen Total
ZINC Tool Compounds
ZINC000100007148
External IDs
39
Properties
(calculated by RDKit )
Molecular Weight
380.09
Hydrogen Bond Acceptors
8
Hydrogen Bond Donors
4
Rotatable Bonds
5
Ring Count
2
Aromatic Ring Count
2
cLogP
3.12
TPSA
151.66
Fraction CSP3
0.0
Chiral centers
0.0
Largest ring
6.0
QED
0.27
QED
0.27
Structural alerts
2
aggregator (ZINC)
Aggregators
aggregator (Aggregator Advisor)
Aggregators
Related compounds
Custom attributes
(extracted from source data)
Pathway
MAPK
Anti-infection
Autophagy
MAPK/ERK Pathway
Target
MEK1
MEK2
Virus Protease
MEK1/2 inhibitor
Influenza Virus
Mitophagy
Primary Target
MEK
MOA
Inhibitor
Apoptosis Inducers
Mitogen-Activated Protein (MAP) Kinase Kinase (MEK) Inhibitors
Extracellular-Regulated Kinase (ERK) Inhibitors
Jak2 Inhibitors
Member status
virtual
Solubility
In Vitro:<br/>DMSO : ≥ 49 mg/mL (114.87 mM)<br/>H2O : < 0.1 mg/mL (insoluble)
In vitro:<br/>10 mM in DMSO
Source data