General
Preferred name
ML281
Synonyms
ML 281 ()
ML-281 ()
P&D ID
PD015882
CAS
1404437-62-2
Tags
available
probe
Probe info
Probe type
experimental probe
Probe sources
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)
DESCRIPTION ML281 is a potent and selective STK33 inhibitor with IC50 of 14 nM. ML281 showed a 550-fold selectivity over AurB and greater than 700-fold selectivity over PKA.;target: STK33;IC50: 14 nM [1];ML281 showed low nanomolar inhibition of purified recombinant STK33 and a distinct selectivity profile as compared to other STK33 inhibitors. Even at the highest concentration tested (10 ¦ÌM), ML281 had no effect on the viability of KRAS-dependent cancer cells. [2]
PRICE 86
DESCRIPTION Selective TLR3 inhibitor (Tocris Bioactive Compound Library)
DESCRIPTION STK33 inhibitor (Tocriscreen Plus)
DESCRIPTION ML281, a quinoxalin derivative, has been found to be a STK33 inhibitor and could have probable effect against KRAS-dependent cancers. IC50: 14 nM. (BOC Sciences Bioactive Compounds)
DESCRIPTION ML281, a potent and selective STK33 inhibitor, exhibits an IC50 of 14 nM. (TargetMol Bioactive Compound Library)
Compound Sets
12
BOC Sciences Bioactive Compounds
Cayman Chemical Bioactives
CZ-OPENSCREEN Bioactive Library
Drug Repurposing Hub
EU-OPENSCREEN Bioactive Compound Library
MedChem Express Bioactive Compound Library
MLP Probes
MLSMR Probes +
Selleckchem Bioactive Compound Library
TargetMol Bioactive Compound Library
Tocris Bioactive Compound Library
Tocriscreen Plus
External IDs
15
Properties
(calculated by RDKit )
Molecular Weight
389.12
Hydrogen Bond Acceptors
4
Hydrogen Bond Donors
2
Rotatable Bonds
4
Ring Count
4
Aromatic Ring Count
4
cLogP
5.03
TPSA
74.85
Fraction CSP3
0.14
Chiral centers
0.0
Largest ring
6.0
QED
0.51
Structural alerts
0
No structural alerts detected
Custom attributes
(extracted from source data)
Classification
Probe
Target Type
Enzymes
Antitarget
PAK, Aurora B
Target
STK33
Serine/threonin kinase
Primary Target
Other Kinases
MOA
Inhibitor
serine/threonine kinase inhibitor
Pathway
Cell Cycle/DNA Damage
Proteases/Proteasome
Solubility
5.6 μM in DMSO
Source data