SISUNATOVIR

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Synonyms
Status
Molecule Category Free-form
UNII KE63TTO7WK

Structure

InChI Key JOPCJJSYRPUEDS-UHFFFAOYSA-N
Smiles NCc1ccc2c(c1)nc(CN1C(=O)C3(CC3)c3ccc(F)cc31)n2CCCC(F)(F)F
InChI
InChI=1S/C23H22F4N4O/c24-15-3-4-16-19(11-15)31(21(32)22(16)7-8-22)13-20-29-17-10-14(12-28)2-5-18(17)30(20)9-1-6-23(25,26)27/h2-5,10-11H,1,6-9,12-13,28H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C23H22F4N4O
Molecular Weight 446.45
AlogP 4.56
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 6.0
Polar Surface Area 64.15
Molecular species BASE
Aromatic Rings 3.0
Heavy Atoms 32.0

Pharmacology

Mechanism of Action Action Reference
Fusion glycoprotein F0 inhibitor INHIBITOR PubMed PubMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Surface antigen
- 0.9 - - -
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Human respiratory syncytial virus
0.1-1.3 1-1.4 - - -
Human respiratory syncytial virus A2
- 0.9 - - -
Human respiratory syncytial virus B
0.1 - - - -
Respiratory syncytial virus
1.18-88.98 - - - -

Cross References

Resources Reference
ChEMBL CHEMBL4297497
DrugBank DB15674
FDA SRS KE63TTO7WK
PDB WVA
SureChEMBL SCHEMBL19470916
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