General
Preferred name
CBS1117
Synonyms
P&D ID
PD156541
CAS
959245-08-0
Tags
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 CBS1117 is a virus entry inhibitor with an IC50 of 70 nM for influenza A virus, A/Puerto Rico/8/34 (H1N1). CBS1117 interferes with the hemagglutinin (HA)-mediated fusion process[1].
PRICE 114
DESCRIPTION CBS1117 is an effective inhibitor of influenza A virus entry, which can inhibit influenza virus hemagglutinin. (BOC Sciences Bioactive Compounds)
DESCRIPTION CBS1117 is a virus entry inhibitor with an IC50 of 70 nM for influenza A virus, A/Puerto Rico/8/34 (H1N1). It interferes with the hemagglutinin (HA)-mediated fusion process. (TargetMol Bioactive Compound Library)
Cell lines
0
Organisms
2
Compound Sets
5
Axon Medchem Screening Library
3360
BOC Sciences Bioactive Compounds
cbs1117-cas-959245-08-0-373058
MedChem Express Bioactive Compound Library
HY-131059
Selleckchem Bioactive Compound Library
cbs1117
TargetMol Bioactive Compound Library
T8793
External IDs
9
Properties
(calculated by RDKit )
Molecular Weight
314.1
Hydrogen Bond Acceptors
2
Hydrogen Bond Donors
1
Rotatable Bonds
3
Ring Count
2
Aromatic Ring Count
1
cLogP
3.6
TPSA
32.34
Fraction CSP3
0.53
Chiral centers
0.0
Largest ring
6.0
QED
0.92
Structural alerts
0
No structural alerts detected
Custom attributes
(extracted from source data)
Target
Influenza A virus
Influenza Virus
Virus entry inhibitor
Antiviral
Pathway
Anti-infection
Microbiology/virology
Solubility
In Vitro:<br/>DMSO : 250 mg/mL(793.05 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 (6.60 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 (6.60 mM)
Clear solution<br/>3.Add each solvent one by one:10% DMSO >> 90%corn oil<br/>Solubility: ≥ 2.08 mg/mL (6.60 mM)
Clear solution
Source data