General
Preferred name
NAPQI
Synonyms
N-acetyl-4-benzoquinoneimine ()
N-Acetyl-4-benzoquinone imine ()
P&D ID
PD017920
CAS
50700-49-7
Tags
available
drug candidate
Drug indication
Autoimmune disease
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
4
Cayman Chemical Bioactives
DrugMAP
Guide to Pharmacology
MedChem Express Bioactive Compound Library
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
26
Properties
(calculated by RDKit )
Molecular Weight
149.05
Hydrogen Bond Acceptors
2
Hydrogen Bond Donors
0
Rotatable Bonds
0
Ring Count
1
Aromatic Ring Count
0
cLogP
0.67
TPSA
46.5
Fraction CSP3
0.12
Chiral centers
0.0
Largest ring
6.0
QED
0.48
Structural alerts
1
quinone_A(370)
[!#6&!#1]=[#6]-1-[#6]=,:[#6]-[#6](=[!#6&!#1])-[#6]=,:[#6]-1
PAINS Family A
Related compounds
Custom attributes
(extracted from source data)
Pathway
Metabolic Enzyme/Protease
Target
Drug Metabolite
Endogenous Metabolite
Source data
