Synonyms:
Status: Phase 3
Entry Type: Small molecule
Molecule Category: UKNOWN
UNII: XCF42D7AG4

Structure

InChI Key GAAICKUTDBZCMT-UHFFFAOYSA-N
Smile Cc1ccc2nc(N3CCS(=O)(=O)c4ccccc4C3)nc(NCC3(N)COC3)c2c1
InChI
InChI=1S/C22H25N5O3S/c1-15-6-7-18-17(10-15)20(24-12-22(23)13-30-14-22)26-21(25-18)27-8-9-31(28,29)19-5-3-2-4-16(19)11-27/h2-7,10H,8-9,11-14,23H2,1H3,(H,24,25,26)

Physicochemical Descriptors

Property Name Value
Molecular Formula C22H25N5O3S
Molecular Weight 439.54
AlogP 1.87
Hydrogen Bond Acceptor 8.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 4.0
Polar Surface Area 110.44
Molecular species NEUTRAL
Aromatic Rings 3.0
Heavy Atoms 31.0

Pharmacology

Action Mechanism of Action Reference
INHIBITOR Fusion glycoprotein F0 inhibitor PubMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Surface antigen
2100 - - - 100

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Respiratory Syncytial Virus Infections 3 D018357 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
ChEMBL CHEMBL4468815
FDA SRS XCF42D7AG4
SureChEMBL SCHEMBL14704847