Synonyms:
Status: Phase 2
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: NQ99E8OH3P

Structure

InChI Key GTQTUABHRCWVLL-UHFFFAOYSA-N
Smile CS(=O)(=O)CCCn1c(Cn2c(=O)n(CC(F)(F)F)c3ccncc32)cc2cc(Cl)ccc21
InChI
InChI=1S/C21H20ClF3N4O3S/c1-33(31,32)8-2-7-27-16(10-14-9-15(22)3-4-17(14)27)12-28-19-11-26-6-5-18(19)29(20(28)30)13-21(23,24)25/h3-6,9-11H,2,7-8,12-13H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C21H20ClF3N4O3S
Molecular Weight 500.93
AlogP 3.85
Hydrogen Bond Acceptor 7.0
Hydrogen Bond Donor 0.0
Number of Rotational Bond 7.0
Polar Surface Area 78.89
Molecular species NEUTRAL
Aromatic Rings 4.0
Heavy Atoms 33.0

Pharmacology

Action Mechanism of Action Reference
INHIBITOR Fusion glycoprotein F0 inhibitor PubMed PubMed PubMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Surface antigen
1 - - - -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Infections 3 D007239 ClinicalTrials
Respiratory Syncytial Virus Infections 2 D018357 ClinicalTrials
Liver Diseases 1 D008107 ClinicalTrials

Cross References

Resources Reference
ChEMBL CHEMBL4437054
FDA SRS NQ99E8OH3P
PDB 6YA
PubChem 118892432
SureChEMBL SCHEMBL17529353