BALOXAVIR MARBOXIL

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Trade Names
Synonyms
Status
Molecule Category Free-form
ATC J05AX25
UNII 505CXM6OHG

Structure

InChI Key RZVPBGBYGMDSBG-GGAORHGYSA-N
Smiles COC(=O)OCOc1c2n(ccc1=O)N([C@@H]1c3ccccc3SCc3c1ccc(F)c3F)[C@@H]1COCCN1C2=O
InChI
InChI=1S/C27H23F2N3O7S/c1-36-27(35)39-14-38-25-19(33)8-9-31-24(25)26(34)30-10-11-37-12-21(30)32(31)23-15-6-7-18(28)22(29)17(15)13-40-20-5-3-2-4-16(20)23/h2-9,21,23H,10-14H2,1H3/t21-,23+/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C27H23F2N3O7S
Molecular Weight 571.56
AlogP 3.39
Hydrogen Bond Acceptor 10.0
Number of Rotational Bond 4.0
Polar Surface Area 99.54
Molecular species NEUTRAL
Aromatic Rings 3.0
Heavy Atoms 40.0

Pharmacology

Mechanism of Action Action Reference
Polymerase acidic protein inhibitor INHIBITOR FDA PubMed

Related Entries

Cross References

Resources Reference
ChEMBL CHEMBL4297503
DrugBank DB13997
DrugCentral 5301
FDA SRS 505CXM6OHG
PubChem 124081896
SureChEMBL SCHEMBL20108731
CONTENTS