General
Preferred name
PF-8380
Synonyms
PF 8380 ()
PF8380 ()
PF-8380 (hydrochloride) ()
P&D ID
PD012872
CAS
1144035-53-9
2070015-01-7
Tags
available
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 PF-8380 is reported as a novel autotaxin inhibitor for use as a tool compound for investigating the in vivo role of autotaxin and LPA in inflammation and in cancer . An ATX inhibitor compound named PF-8380 is claimed in patent WO2011151461 , but this has a different chemical structure from the entity we depict here and whch was disclosed in St-Coeur et al.'s primary publication . (GtoPdb)
DESCRIPTION Potent and selective GSK-3beta inhibitor (Tocris Bioactive Compound Library)
Cell lines
5
Organisms
0
Compound Sets
10
Axon Medchem Screening Library
3442
Cayman Chemical Bioactives
12018
Drug Repurposing Hub
EU-OPENSCREEN Bioactive Compound Library
EOS100227
Guide to Pharmacology
9142
MedChem Express Bioactive Compound Library
HY-13344
HY-13344A
Novartis Chemogenetic Library (NIBR MoA Box)
Selleckchem Bioactive Compound Library
pf-8380
TargetMol Bioactive Compound Library
T3631
Tocris Bioactive Compound Library
4078
External IDs
25
Properties
(calculated by RDKit )
Molecular Weight
477.09
Hydrogen Bond Acceptors
6
Hydrogen Bond Donors
1
Rotatable Bonds
6
Ring Count
4
Aromatic Ring Count
3
cLogP
3.96
TPSA
95.85
Fraction CSP3
0.32
Chiral centers
0.0
Largest ring
6.0
QED
0.54
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Pathway
Metabolism
Metabolic Enzyme/Protease
Target
autotaxin
ENPP2
ATX inhibitor
Phosphodiesterase (PDE)
PDE
Primary Target
Autotaxin
MOA
Inhibitor
Ectonucleotide Pyrophosphatase/Phosphodiesterase 2 (ENPP2
Autotaxin) Inhibitors
Autotaxin inhibitor
Member status
member
Source data