General
Preferred name
ML171
Synonyms
2-Acetylphenothiazine ()
ML 171 ()
2-APT ()
2-Acetylphenothiazine (ML171) ()
P&D ID
PD010252
CAS
6631-94-3
Tags
available
probe
Probe info
Probe type
experimental probe
Probe sources
MLP Probes
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 ML171 (2-Acetylphenothiazine;2-APT) is a potent and selective NADPH oxidase 1 (Nox1) inhibitor that blocks Nox1-dependent ROS generation, with an IC50 of 0.25 ¦ÌM in HEK293-Nox1 confirmatory assay.
DESCRIPTION to identify compounds in the Maybridge collection that inhibit NOX1 activity (MLP Probes)
DESCRIPTION 2-Acetylphenothiazine is a potent and selective inhibitor of NADPH-oxidase. (Enamine Bioactive Compounds)
DESCRIPTION ML 171is a NADPH oxidase 1 (NOX1) inhibitor. It can block NOX1-dependent ROS generation. (BOC Sciences Bioactive Compounds)
Cell lines
1
Organisms
0
Compound Sets
11
AdooQ Bioactive Compound Library
A13360
BOC Sciences Bioactive Compounds
2-acetylphenothiazine-cas-6631-94-3-346784
Cayman Chemical Bioactives
19056
CZ-OPENSCREEN Bioactive Library
Enamine Bioactive Compounds
EBC-12775
EU-OPENSCREEN Bioactive Compound Library
EOS100095
MedChem Express Bioactive Compound Library
HY-12805
MLP Probes
NBK98925
MLSMR Probes +
NPC Screening Collection
Selleckchem Bioactive Compound Library
2-acetylphenothiazine-ml171
External IDs
22
Properties
(calculated by RDKit )
Molecular Weight
241.06
Hydrogen Bond Acceptors
3
Hydrogen Bond Donors
1
Rotatable Bonds
1
Ring Count
3
Aromatic Ring Count
2
cLogP
4.1
TPSA
29.1
Fraction CSP3
0.07
Chiral centers
0.0
Largest ring
6.0
QED
0.65
Structural alerts
0
No structural alerts detected
Custom attributes
(extracted from source data)
Classification
Probe
Antitarget
NOX2, NOX3, NOX4, xanthine oxidase
Target
NOX1
NADPH oxidase
NADPH-oxidase
Pathway
Metabolic Enzyme/Protease
Source data