General
Preferred name
CLEMIZOLE
Synonyms
CLEMIZOLE HYDROCHLORIDE ()
Clemizole (hydrochloride) ()
AL 20 [AS HYDROCHLORIDE] ()
AL-20 FREE BASE ()
NSC-46261 ()
P&D ID
PD013315
CAS
1163-36-6
442-52-4
Tags
natural product
drug
available
Drug indication
Hepatitis C virus infection
Drug Status
investigational
approved
Max Phase
Phase 2
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 Clemizole is principally known as an antagonist of the histamine H1 receptor. It has subsequently been identified as a transient receptor potential channel blocker with activity at the TRPC5 cation channel . (GtoPdb)
DESCRIPTION TRPC5 blocker; also H1 antagonist (Tocriscreen Plus)
DESCRIPTION H1 Histamine receptor antagonist (LOPAC library)
DESCRIPTION Clemizole is an H1 antagonist acts as a TRPC5 channel blocker (IC50 values are 1.1, 6.4, 9.1, 11.3 and 26.5 μM for TRPC5, TRPC4, TRPC3, TRPC6 and TRPC7 respectively). (BOC Sciences Bioactive Compounds)
Cell lines
0
Organisms
2
Compound Sets
26
AdooQ Bioactive Compound Library
A15047
A13073
Axon Medchem Screening Library
2458
BOC Sciences Bioactive Compounds
clemizole-cas-442-52-4-item-68891
Cayman Chemical Bioactives
17695
ChEMBL Drugs
CHEMBL1407943
Concise Guide to Pharmacology 2019/20
10285
Concise Guide to Pharmacology 2021/22
10285
Concise Guide to Pharmacology 2023/24
10285
Drug Repurposing Hub
DrugBank
DB15932
DrugCentral
672
DrugCentral Approved Drugs
672
DrugMAP
DM4UAPD
EU-OPENSCREEN Bioactive Compound Library
EOS100839
Guide to Pharmacology
10285
Ki Database
clemizole
LOPAC library
MedChem Express Bioactive Compound Library
HY-30234A
NPC Screening Collection
Pandemic Response Box
Prestwick Chemical Library
ReFrame library
Selleckchem Bioactive Compound Library
clemizole
TargetMol Bioactive Compound Library
T1822L
T1822
The Spectrum Collection
Tocriscreen Plus
5371
External IDs
40
Properties
(calculated by RDKit )
Molecular Weight
325.13
Hydrogen Bond Acceptors
3
Hydrogen Bond Donors
0
Rotatable Bonds
4
Ring Count
4
Aromatic Ring Count
3
cLogP
4.33
TPSA
21.06
Fraction CSP3
0.32
Chiral centers
0.0
Largest ring
6.0
QED
0.71
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
TRPC5 blocker
HCV
HCV Protease
Histamine Receptor
TRP Channel
Dopamine Receptor,TRP Channel
Indication
allergic rhinitis
MOA
HCV inhibitor
Solubility
Soluble in DMSO
Source data