General
Preferred name
PD 334581
Synonyms
PD-334581 ()
P&D ID
PD069689
CAS
548756-68-9
Tags
available
Probe control
Probe control not defined
Orthogonal probes
0
No orthogonal probes found
Similar probes
0
No structurally similar probes found
Structure
P&D probe-likeness score
Structure formats
[[ format ]]
[[ compound[format === 'MOL' ? 'molblock' : format.toLowerCase()] ]]
Description
(extracted from source data)
DESCRIPTION
PD-334581 is a MEK1 inhibitor[1].
DESCRIPTION
PD 334581, an analog of PD 184352, is an inhibitor of MEK1 that is used in biological studies to evaluate halogen bonding as a novel interaction for rational drug design.
(BOC Sciences Bioactive Compounds)
DESCRIPTION
Potent and selective ASK1 inhibitor; orally bioavailable
(Tocris Bioactive Compound Library)
[[ p.pathway_name ]]
[[ compound.targets[tid].gene_name ]]
Compound Sets
4
BOC Sciences Bioactive Compounds
Cayman Chemical Bioactives
MedChem Express Bioactive Compound Library
Tocris Bioactive Compound Library
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
12
Molecular Weight
545.05
Hydrogen Bond Acceptors
7
Hydrogen Bond Donors
2
Rotatable Bonds
7
Ring Count
4
Aromatic Ring Count
3
cLogP
4.25
TPSA
75.45
Fraction CSP3
0.3
Chiral centers
0.0
Largest ring
6.0
QED
0.43
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Primary Target
MEK
MOA
Inhibitor
Pathway
MAPK/ERK Pathway
Solubility
DMSO to 100 mM
ethanol to 10 mM
Source data
