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Compound Detail

CHEMBL4165393

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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)c1ccccc1.[Na+]
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4165393
Phase Preclinical
Structure Type MOL
InChI Key GIYKALMXOYXWDT-GNXQGIBLSA-M
Parent Compound CHEMBL4301923
Active Moiety CHEMBL4301923
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

394.4
MW (Da)
-1.63
ALogP
7
HBA
6
HBD
165.4
PSA (Ų)
0.32
QED
1
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H21N2NaO8
MW 416.36
Aromatic Rings 1
Heavy Atoms 28
NP-Likeness 0.62

Activity Summary

IC50 1 meas.

Literature References

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

Data from ChEMBL 36 via Core Engine