General
Preferred name
JUGLONE
Synonyms
Regianin ()
5-Hydroxy-1,4-naphthoquinone ()
Avastin+/-Tarceva ()
5-Hydroxy-1,4-naphthalenedione ()
Regianin, 5-Hydroxy-1,4-naphthoquinone ()
5-Hydroxy-[1,4]Naphthoquinone ()
P&D ID
PD002044
CAS
481-39-0
Tags
covalent binder
drug candidate
natural product
available
Drug indication
Nasopharyngeal carcinoma
Non-small-cell lung cancer
Structure
Probe scores
P&D probe-likeness score
[[ v.score ]]%
Structure formats
[[ format ]]
[[ compound[format === 'MOL' ? 'molblock' : format.toLowerCase()] ]]
Cell lines
21
Organisms
2
Compound Sets
8
Cayman Chemical Bioactives
16216
CovalentInDB
CI000005
DrugMAP
DMA86FL
EU-OPENSCREEN Bioactive Compound Library
EOS102329
MedChem Express Bioactive Compound Library
HY-N6949
Selleckchem Bioactive Compound Library
juglone
TargetMol Bioactive Compound Library
T4010
The Spectrum Collection
External IDs
31
Properties
(calculated by RDKit )
Molecular Weight
174.03
Hydrogen Bond Acceptors
3
Hydrogen Bond Donors
1
Rotatable Bonds
0
Ring Count
2
Aromatic Ring Count
1
cLogP
1.33
TPSA
54.37
Fraction CSP3
0.0
Chiral centers
0.0
Largest ring
6.0
QED
0.65
Structural alerts
1
quinone_A(370)
[!#6&!#1]=[#6]-1-[#6]=,:[#6]-[#6](=[!#6&!#1])-[#6]=,:[#6]-1
PAINS Family A
Custom attributes
(extracted from source data)
Pathway
DNA Damage/DNA Repair
Anti-infection
Target
RNA polymerase
Bacterial
Fungal
MOA
DNA/RNA Synthesis
Source data