General
Preferred name
BENZOQUINONIUM
Synonyms
Benzoquinonium dibromide ()
BENZOQUINONIUM CHLORIDE ()
Mytolon chloride ()
NSC-66373 ()
Amilyt ()
WIN-2747 ()
P&D ID
PD071249
CAS
7554-16-7
311-09-1
Tags
available
drug candidate
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
Potent and selective 5-HT3 agonist
(Tocris Bioactive Compound Library)
DESCRIPTION
Benzoquinonium dibromide is an AChR and ganglion inhibitor stimulating single channels but blocking open channels at nicotinic receptors.
(BOC Sciences Bioactive Compounds)
DESCRIPTION
Nicotinic antagonist
(Tocriscreen Total)
[[ p.pathway_name ]]
[[ compound.targets[tid].gene_name ]]
Compound Sets
6
BOC Sciences Bioactive Compounds
ChEMBL Drugs
Drug Repurposing Hub
DrugMatrix
Tocris Bioactive Compound Library
Tocriscreen Total
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
28
Molecular Weight
546.39
Hydrogen Bond Acceptors
4
Hydrogen Bond Donors
2
Rotatable Bonds
18
Ring Count
3
Aromatic Ring Count
2
cLogP
4.98
TPSA
58.2
Fraction CSP3
0.47
Chiral centers
0.0
Largest ring
6.0
QED
0.16
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)
Primary Target
Nicotinic Receptors (Non-selective)
MOA
Antagonist
cholinergic receptor antagonist
Target
CHRNA1
Source data
