General
Preferred name
CHLORANIL
Synonyms
p-Chloranil ()
Tetrachloro-p-benzoquinone ()
TCBQ ()
P&D ID
PD001230
CAS
118-75-2
Tags
available
drug candidate
nuisance
Drug indication
Discovery agent
Structure
Probe scores
P&D probe-likeness score
[[ v.score ]]%
Structure formats
[[ format ]]
[[ compound[format === 'MOL' ? 'molblock' : format.toLowerCase()] ]]
Description
(extracted from source data)
DESCRIPTION Chloranil (Tetrachloro-p-benzoquinone), an orally active metabolite of pentachlorophenol and hexachlorobenzene, is a widely used fungicide. Chloranil can induce ROS production. Chloranil induces neutrophil extracellular traps through the ROS-JNK-NOX2 pathway. Chloranil induces ferroptosis and neuroinflammation. Chloranil induces apoptosis of mouse embryonic stem cells[1][2][3][4][5] .
PRICE 29
DESCRIPTION Chloranil was found to inhibit acetylcholinesterase, urease. (Enamine Bioactive Compounds)
DESCRIPTION Chloranil (tetrachloro-p-benzoquinone) triggers inflammation and neurological dysfunction through Toll-like receptor 4 signaling and can be used to model inflammation in mice. (TargetMol Bioactive Compound Library)
Cell lines
1
Organisms
1
Compound Sets
9
CZ-OPENSCREEN Bioactive Library
DrugMAP
DMCHGF1
Enamine Bioactive Compounds
EBC-03313
EU-OPENSCREEN Bioactive Compound Library
EOS102102
MedChem Express Bioactive Compound Library
HY-Y0278
Nuisance compounds in cellular assays
TargetMol Bioactive Compound Library
T80673
The Spectrum Collection
ZINC Tool Compounds
ZINC000000240941
External IDs
34
Properties
(calculated by RDKit )
Molecular Weight
243.87
Hydrogen Bond Acceptors
2
Hydrogen Bond Donors
0
Rotatable Bonds
0
Ring Count
1
Aromatic Ring Count
0
cLogP
2.52
TPSA
34.14
Fraction CSP3
0.0
Chiral centers
0.0
Largest ring
6.0
QED
0.62
Structural alerts
3
ene_one_hal(17)
[#6]-[#6]=[#6](-[F,Cl,Br,I])-[#6](=[#8])-[#6]
PAINS Family B
quinone_A(370)
[!#6&!#1]=[#6]1[#6]=,:[#6][#6](=[!#6&!#1])[#6]=,:[#6]1
PAINS Family A
HIS tag disruption
Nuisance compounds
Custom attributes
(extracted from source data)
Target
TLR4
Apoptosis
Ferroptosis
Fungal
JNK
MyD88
Reactive Oxygen Species (ROS)
Toll-like Receptor (TLR)
Reactive Oxygen Species
Pathway
Immunology/Inflammation
Anti-infection
MAPK/ERK Pathway
Metabolic Enzyme/Protease
NF-κB
NF-¦ÊB
Source data