General
Preferred name
E-52862
Synonyms
E-52862 hydrochloride ()
S1RA ()
S1RA (hydrochloride) ()
S1RA hydrochloride ()
P&D ID
PD018612
CAS
878141-96-9
1265917-14-3
Tags
available
drug candidate
Drug indication
Coronavirus Disease 2019 (COVID-19)
Drug Status
investigational
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 E-52862 is a σ1 receptor antagonist . It has been shown to exert dose-dependent antinociceptive effects in several neuropathic pain models. (GtoPdb)
DESCRIPTION S1RA (E-52862) is a highly selective ¦Ò1 receptor (¦Ò1R) antagonist with Kis of 17 nM and 23.5 nM for human ¦Ò1R and guinea pig ¦Ò1R, respectively. S1RA has Moderate antagonistic activity for human 5-HT2B receptor (Ki= 328 nM). S1RA has antinociceptive effects in neuropathic pain models. S1RA prevents mechanical and cold hypersensitivity in Oxaliplatin (HY-17371)-treated mice[1][2].
PRICE 94
DESCRIPTION S1RA (E-52862)(E-52862) is a potent, selective antagonist of the sigma-1 receptor (??1R, Ki=17 nM), demonstrating significant selectivity over the sigma-2 receptor (??2R, Ki > 1000 nM).
DESCRIPTION S1RA (E-52862) hydrochloride is an orally active and selective sigma-1 receptor (¦Ò1R) antagonist with a Ki value of 17 nM. S1RA hydrochloride shows good selectivity against ¦Ò2R (Ki >1000 nM). S1RA hydrochloride is a human 5-HT2B receptor antagonist with an IC50 value of 4.7 ¦ÌM. S1RA hydrochloride inhibits neuropathic pain and activity-induced spinal sensitization[1][2].
PRICE 92
DESCRIPTION S1RA hydrochloride (E-52862 hydrochloride) is an effective and specific sigma-1 receptor(??1R, Ki: 17 nM) antagonist, and has good selectivity against ??2R (Ki > 1000 nM).
DESCRIPTION The sigma-1 (σ1) receptor is an intracellular, non-opioid receptor that is abundantly expressed in the central nervous system as well as peripherally. S1RA is a potent, selective antagonist of σ1 receptors (Ki = 17 nM) that weakly binds σ2 receptors (Ki = 9,300 nM). (BOC Sciences Bioactive Compounds)
DESCRIPTION S1RA (E-52862)(E-52862) is a potent, selective antagonist of the sigma-1 receptor (σ1R, Ki=17 nM), demonstrating significant selectivity over the sigma-2 receptor (σ2R, Ki > 1000 nM). (TargetMol Bioactive Compound Library)
DESCRIPTION The hydrochloride salt form of S1RA which is a σ1 receptor antagonist that has been found to have potential effect in pain therapy. It is still under Phase II clinical trial. IC50: 17 nM (Ki). (BOC Sciences Bioactive Compounds)
DESCRIPTION S1RA hydrochloride (E-52862 hydrochloride) is an effective and specific sigma-1 receptor(σ1R, Ki: 17 nM) antagonist, and has good selectivity against σ2R (Ki > 1000 nM). (TargetMol Bioactive Compound Library)
Compound Sets
11
AdooQ Bioactive Compound Library
A12504
BOC Sciences Bioactive Compounds
s1ra-cas-878141-96-9-item-84-462700
s1ra-hydrochloride-cas-1265917-14-3-item-474443
Cayman Chemical Bioactives
16279
32729
Drug Repurposing Hub
DrugBank
DB16881
DrugMAP
DMLZU09
Guide to Pharmacology
10431
MedChem Express Bioactive Compound Library
HY-18099
HY-18099A
ReFrame library
Selleckchem Bioactive Compound Library
s1ra
TargetMol Bioactive Compound Library
T1865
T4229
External IDs
29
Properties
(calculated by RDKit )
Molecular Weight
337.18
Hydrogen Bond Acceptors
5
Hydrogen Bond Donors
0
Rotatable Bonds
5
Ring Count
4
Aromatic Ring Count
3
cLogP
3.04
TPSA
39.52
Fraction CSP3
0.35
Chiral centers
0.0
Largest ring
6.0
QED
0.72
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Target
Sigma Receptor
σ1
σ2
SIGMAR1
5-HT Receptor
MOA
Sigma receptor antagonist
Therapeutic Class
Antiviral Agents
Pathway
GPCR/G protein
Neuronal Signaling
Solubility
DMSO:≥ 57 mg/mL
Source data