General
Preferred name
PHENIDONE
Synonyms
1-PHENYL-3-PYRAZOLIDINONE ()
P&D ID
PD071724
CAS
4072-30-4
92-43-3
14776-33-1
Tags
available
drug candidate
Drug indication
Discovery agent
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()] ]]
[[ p.pathway_name ]]
[[ compound.targets[tid].gene_name ]]
Cell lines
0
Organisms
1
Compound Sets
8
DrugMAP
DrugMatrix
EU-OPENSCREEN Bioactive Compound Library
LSP-MoA library (Laboratory of Systems Pharmacology)
MedChem Express Bioactive Compound Library
Novartis Chemogenetic Library (NIBR MoA Box)
Selleckchem Bioactive Compound Library
ZINC Tool Compounds
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
22
Properties
(calculated by RDKit )
Molecular Weight
162.08
Hydrogen Bond Acceptors
2
Hydrogen Bond Donors
1
Rotatable Bonds
1
Ring Count
2
Aromatic Ring Count
1
cLogP
0.93
TPSA
32.34
Fraction CSP3
0.22
Chiral centers
0.0
Largest ring
6.0
QED
0.67
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Member status
virtual
MOA
Cyclooxygenase (COX) Inhibitors
Lipoxygenase Inhibitors
Antioxidants
Pathway
Immunology/Inflammation
Metabolic Enzyme/Protease
Target
COX
Lipoxygenase
COX,Lipoxygenase
Source data
