General
Preferred name
CINANSERIN
Synonyms
CINANSERIN HYDROCHLORIDE ()
SQ 10643 ()
Cinanserin (hydrochloride) ()
Cinanserine ()
Cinanserina ()
SQ-10643 ()
SQ 10,643 ()
NSC-125717 ()
Cinanserin hcl ()
(2E)-N-(2-[[3-(Dimethylamino)propyl]sulfanyl]phenyl)-3-phenylprop-2-enamide ()
P&D ID
PD013879
CAS
54-84-2
1166-34-3
33464-86-7
Tags
available
drug candidate
Drug indication
Discovery agent
Drug Status
investigational
Max Phase
2.0
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
Cinanserin hydrochloride (SQ 10643) is a potent, selective and highly affinity 5-HT2 receptor antagonist with a Ki of 41 nM. Cinanserin hydrochloride has a much higher binding affinity for the 5-HT2 than for the 5-HT1 receptor (Ki of 3500 nM). Cinanserin is also an inhibitor of 3C-like proteinase of severe acute respiratory syndrome coronavirus and strongly reduces virus replication in vitro[1][2][3].
PRICE
88
DESCRIPTION
Has binding affinity towards 5-hydroxytryptamine receptors.
(Enamine Bioactive Compounds)
DESCRIPTION
Selective kappa agonist; less active enantiomer of (+/-)-U-50488 (Cat. No. 0495)
(Tocris Bioactive Compound Library)
DESCRIPTION
Cinanserin hydrochloride is the hydrochloride salt of cinanserin, which is a 5-HT2 antagonist and an inhibitor of GPVI-mediated cell activation. It also acts as an inhibitor of CRP-XL- and collagen-induced Ca2+ release and aggregation. It is also an inhibitor of 3C-like proteinase of severe acute respiratory syndrome coronavirus, and it strongly reduces virus replication in vitro.
(BOC Sciences Bioactive Compounds)
DESCRIPTION
Selective 5-HT2 antagonist
(Tocriscreen Total)
DESCRIPTION
Cinanserin hydrochloride (SQ 10643), a high-affinity antagonist of the 5-HT2 receptor (Ki: 41 nM), is also a 3C-like protease inhibitor of severe acute respiratory syndrome coronavirus.
(TargetMol Bioactive Compound Library)
[[ p.pathway_name ]]
[[ compound.targets[tid].gene_name ]]
Compound Sets
13
BOC Sciences Bioactive Compounds
Cayman Chemical Bioactives
ChEMBL Drugs
Drug Repurposing Hub
DrugMAP
Enamine Bioactive Compounds
MedChem Express Bioactive Compound Library
NIH Clinical Collections (NCC)
NPC Screening Collection
ReFrame library
TargetMol Bioactive Compound Library
Tocris Bioactive Compound Library
Tocriscreen Total
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
46
Molecular Weight
340.16
Hydrogen Bond Acceptors
3
Hydrogen Bond Donors
1
Rotatable Bonds
8
Ring Count
2
Aromatic Ring Count
2
cLogP
4.38
TPSA
32.34
Fraction CSP3
0.25
Chiral centers
0.0
Largest ring
6.0
QED
0.44
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Target
5-HT2
Influenza Virus
HTR2A
5-HT Receptor
Primary Target
Non-selective 5-HT2
MOA
Antagonist
serotonin receptor antagonist
Pathway
Anti-infection
GPCR/G protein
Neuronal Signaling
Microbiology/virology
Neuroscience
Solubility
In Vitro:<br/>DMSO : 125 mg/mL(331.62 mM
Need ultrasonic)<br/>H2O : 100 mg/mL(265.29 mM
Need ultrasonic)<br/>In Vivo:<br/>1.Add each solvent one by one:10% DMSO >> 40%PEG300 >> 5%Tween-80 >> 45% saline<br/>Solubility: ≥ 2.08 mg/mL (5.52 mM)
Clear solution<br/>2.Add each solvent one by one:10% DMSO >> 90% (20%SBE-β-CDin saline)<br/>Solubility: ≥ 2.08 mg/mL (5.52 mM)
Clear solution<br/>3.Add each solvent one by one:10% DMSO >> 90%corn oil<br/>Solubility: ≥ 2.08 mg/mL (5.52 mM)
Clear solution
Source data
