BALOXAVIR MARBOXIL

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Trade Names:
Synonyms:
Status: Approved (2018)
Entry Type: Small molecule
Molecule Category: UNKNOWN Prodrug
ATC: J05AX25
UNII: 505CXM6OHG

Structure
InChI Key RZVPBGBYGMDSBG-GGAORHGYSA-N
Smile 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
Hydrogen Bond Donor 0.0
Number of Rotational Bond 4.0
Polar Surface Area 99.54
Molecular species NEUTRAL
Aromatic Rings 3.0
Heavy Atoms 40.0

Pharmacology

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

Indications

Mesh Heading Maximum Phase Mesh ID Reference

Related Entries

Scaffolds

Adverse Reactions

SOC By Demographic Distribution
System Organ Classification (SOC)
Relative Frequency (%)
Gastrointestinal disorders
11.91
General disorders and administration site conditions
10.31
Respiratory, thoracic and mediastinal disorders
9.33
Vascular disorders
9.28
Nervous system disorders
8.87
Injury, poisoning and procedural complications
8.15
Infections and infestations
6.86
Immune system disorders
6.19
Psychiatric disorders
4.85
Skin and subcutaneous tissue disorders
4.54
Investigations
3.61
Cardiac disorders
3.56
Metabolism and nutrition disorders
3.04
Musculoskeletal and connective tissue disorders
2.53
Renal and urinary disorders
2.27

Cross References

Resources Reference
CAS NUMBER 1985606-14-1
ChEMBL CHEMBL4297503
DrugBank DB13997
DrugCentral 5301
FDA SRS 505CXM6OHG
PubChem 124081896
SureChEMBL SCHEMBL20108731
CONTENTS