General
Preferred name
CINANSERIN
Synonyms
CINANSERIN HYDROCHLORIDE ()
Cinanserin (hydrochloride) ()
SQ 10643 ()
SQ-10643 ()
Cinanserin hcl ()
NSC-125717 ()
SQ 10,643 ()
P&D ID
PD013879
CAS
54-84-2
1166-34-3
33464-86-7
Tags
drug candidate
natural product
available
Drug indication
Discovery agent
Serotonin Inhibitor
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 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)
Compound Sets
11
BOC Sciences Bioactive Compounds
cinanserin-hydrochloride-cas-54-84-2-item-115105
Cayman Chemical Bioactives
30729
ChEMBL Drugs
CHEMBL18786
CHEMBL2104137
Drug Repurposing Hub
DrugMAP
DM6TJFU
MedChem Express Bioactive Compound Library
HY-100943
NIH Clinical Collections (NCC)
NPC Screening Collection
ReFrame library
Tocris Bioactive Compound Library
0460
Tocriscreen Total
External IDs
38
Properties
(calculated by RDKit )
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)
Primary Target
Non-selective 5-HT2
MOA
Antagonist
serotonin receptor antagonist
Target
HTR2A
5-HT Receptor
Influenza Virus
Pathway
Anti-infection
GPCR/G protein
Neuronal Signaling
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