General
Preferred name
DEQUALINIUM CHLORIDE
Synonyms
Dequalinium chloride hydrate ()
Dequafungan ()
Danical ()
Decabis ()
DEQUALINIUM ()
Dequalinium dichloride ()
Dequalinium (Chloride) ()
Decamine ()
BAQD-10 ()
Dequacets ()
GNF-Pf-5483 ()
NSC-166454 ()
Nordman ()
Fluomizin ()
Labosept ()
Dequadin ()
BAQD 10 ()
Dekamin ()
P&D ID
PD001065
CAS
6707-58-0
522-51-0
Tags
available
drug
Drug Status
approved
Max Phase
Phase 4
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 Selective blocker of apamin-sensitive K+ channels (LOPAC library)
DESCRIPTION Dequalinium Chloride is a PKC inhibitor with IC50 of 7-18 μM, and also a selective blocker of apamin-sensitive K+ channels with IC50 of 1.1 μM. (BOC Sciences Bioactive Compounds)
Cell lines
0
Organisms
4
Compound Sets
13
BOC Sciences Bioactive Compounds
dequalinium-chloride-cas-522-51-0-item-84-300567
Cayman Chemical Bioactives
17557
ChEMBL Approved Drugs
CHEMBL121663
ChEMBL Drugs
CHEMBL121663
DrugMatrix
EU-OPENSCREEN Bioactive Compound Library
EOS102343
Ki Database
Dequalinium
LOPAC library
LSP-MoA library (Laboratory of Systems Pharmacology)
CHEMBL121663
MedChem Express Bioactive Compound Library
HY-B0567
Prestwick Chemical Library
TargetMol Bioactive Compound Library
T0979
The Spectrum Collection
External IDs
21
Properties
(calculated by RDKit )
Molecular Weight
526.26
Hydrogen Bond Acceptors
2
Hydrogen Bond Donors
2
Rotatable Bonds
11
Ring Count
4
Aromatic Ring Count
4
cLogP
0.18
TPSA
59.8
Fraction CSP3
0.4
Chiral centers
0.0
Largest ring
6.0
QED
0.22
Structural alerts
2
aggregator (Aggregator Advisor)
Aggregators
aggregator (ZINC)
Aggregators
Related compounds
Custom attributes
(extracted from source data)
Pathway
Cytoskeletal Signaling
Anti-infection
Apoptosis
Membrane Transporter/Ion Channel
Neuronal Signaling
Target
PKC
Bacterial
nAChR
Parasite
Potassium Channel
Source data