ZIRESOVIR

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Synonyms
Status
Molecule Category Free-form
UNII XCF42D7AG4

Structure

InChI Key GAAICKUTDBZCMT-UHFFFAOYSA-N
Smiles 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

Mechanism of Action Action Reference
Fusion glycoprotein F0 inhibitor INHIBITOR PubMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Surface antigen
- - - - 100
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Human respiratory syncytial virus
2-2 - - - 100
Human respiratory syncytial virus A
3-4 - - - -
Human respiratory syncytial virus B
3 - - - -

Cross References

Resources Reference
ChEMBL CHEMBL4468815
FDA SRS XCF42D7AG4
SureChEMBL SCHEMBL14704847
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