General
Preferred name
PROPYPHENAZONE
Synonyms
Isopropylphenazone ()
4-Isopropylantipyrine ()
Isopropylantipyrine ()
Isopropyrine ()
Propyphenazone (4-Isopropylantipyrine) ()
Isopropylantipyrine, Isopropyrine ()
Yoshipyrin ()
P&D ID
PD013521
CAS
479-92-5
12542-35-7
Tags
natural product
drug
available
Drug Status
experimental
approved
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 ]]
Compound Sets
11
ChEMBL Drugs
Drug Repurposing Hub
DrugBank
DrugCentral
DrugCentral Approved Drugs
DrugMatrix
MedChem Express Bioactive Compound Library
NPC Screening Collection
ReFrame library
Selleckchem Bioactive Compound Library
TargetMol Bioactive Compound Library
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
27
Properties
(calculated by RDKit )
Molecular Weight
230.14
Hydrogen Bond Acceptors
3
Hydrogen Bond Donors
0
Rotatable Bonds
2
Ring Count
2
Aromatic Ring Count
2
cLogP
2.61
TPSA
26.93
Fraction CSP3
0.36
Chiral centers
0.0
Largest ring
6.0
QED
0.78
QED
0.78
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Pathway
Immunology/Inflammation
Target
COX-2
MOA
COX
anti-inflammatory agent
Source data
