General
Preferred name
CLEMIZOLE HYDROCHLORIDE
Synonyms
Clemizole (hydrochloride) ()
P&D ID
PD000238
CAS
1163-36-6
442-52-4
Tags
natural product
available
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 H1 Histamine receptor antagonist (LOPAC library)
DESCRIPTION TRPC5 blocker; also H1 antagonist (Tocriscreen Plus)
Cell lines
0
Organisms
1
Compound Sets
9
AdooQ Bioactive Compound Library
A15047
Cayman Chemical Bioactives
17695
EU-OPENSCREEN Bioactive Compound Library
EOS100839
LOPAC library
MedChem Express Bioactive Compound Library
HY-30234A
Prestwick Chemical Library
TargetMol Bioactive Compound Library
T1822L
The Spectrum Collection
Tocriscreen Plus
5371
External IDs
16
Properties
(calculated by RDKit )
Molecular Weight
361.11
Hydrogen Bond Acceptors
3
Hydrogen Bond Donors
0
Rotatable Bonds
4
Ring Count
4
Aromatic Ring Count
3
cLogP
4.76
TPSA
21.06
Fraction CSP3
0.32
Chiral centers
0.0
Largest ring
6.0
QED
0.67
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Target Type
Ion Channels
Selectivity
H1
Pathway
GPCR/G protein
Immunology/Inflammation
Neuroscience
Anti-infection
Membrane Transporter/Ion Channel
Metabolic Enzyme/Protease
Neuronal Signaling
Target
NS4BH1 histamine receptor
HCV
HCV Protease
Histamine Receptor
TRP Channel
Source data