General
Preferred name
NAPHTHOQUINONE
Synonyms
1,4-NAPHTHOQUINONE ()
α-Naphthoquinone ()
Naphthalene-1,4-Dione ()
P-Naphthoquinone ()
para-naphthoquinone ()
¦Á-Naphthoquinone ()
¦Á-Naphthoquinone, para-naphthoquinone, P-Naphthoquinone ()
P&D ID
PD001214
CAS
130-15-4
Tags
covalent binder
drug candidate
available
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()] ]]
Description
(extracted from source data)
DESCRIPTION
1,4-Naphthoquinone is a potential pharmacophore for inhibition of both MAO (monoamine oxidase) and DNA topoisomerase activities, this latter associated with antitumor activity[1].
PRICE
29
DESCRIPTION
1,4-Naphthoquinone is a potential pharmacophore for inhibition of amine oxidase and DNA topoisomerase activities. It has antitumor activity.
(Enamine Bioactive Compounds)
DESCRIPTION
1,4-Naphthoquinone (P-Naphthoquinone) was used as a potential inhibitor of monoamine oxidase and DNA topoisomerase activities[2]. It was also used to inhibit the acetyltransferase activity[1].
(TargetMol Bioactive Compound Library)
[[ p.pathway_name ]]
[[ compound.targets[tid].gene_name ]]
Cell lines
9
Organisms
1
Compound Sets
8
CovalentInDB
DrugMAP
Enamine Bioactive Compounds
MedChem Express Bioactive Compound Library
Selleckchem Bioactive Compound Library
TargetMol Bioactive Compound Library
The Spectrum Collection
ZINC Tool Compounds
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
33
Molecular Weight
158.04
Hydrogen Bond Acceptors
2
Hydrogen Bond Donors
0
Rotatable Bonds
0
Ring Count
2
Aromatic Ring Count
1
cLogP
1.62
TPSA
34.14
Fraction CSP3
0.0
Chiral centers
0.0
Largest ring
6.0
QED
0.57
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)
Target
acetyltransferase
MAO
Topo
Bacterial
DNA/RNA Synthesis
Monoamine Oxidase
NF-κB
TNF Receptor
MOA
MAO inhibitor
Topoisomerase inhibitor
Pathway
DNA Damage/DNA Repair
Metabolism
Neuroscience
Anti-infection
Apoptosis
Cell Cycle/DNA Damage
Neuronal Signaling
Source data
