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Compound Detail

CHEMBL4174607

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CC(=O)N[C@H]1[C@H]([C@H](O)[C@H](O)CO)OC(C(=O)[O-])=C[C@@H]1NC(=O)Nc1ccccc1OC(F)(F)F.[Na+]
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4174607
Phase Preclinical
Structure Type MOL
InChI Key LAGYOISDDZITPK-PFNBUDRUSA-M
Parent Compound CHEMBL4302470
Active Moiety CHEMBL4302470
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

493.4
MW (Da)
-0.34
ALogP
8
HBA
7
HBD
186.7
PSA (Ų)
0.25
QED
1
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H21F3N3NaO9
MW 515.37
Aromatic Rings 1
Heavy Atoms 34
NP-Likeness -0.09

Literature References

PubMed DOI Target Context # Activities
30108698 10.1039/C6MD00519E Hemagglutinin-neuraminidase 1

Data from ChEMBL 36 via Core Engine