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Compound Detail

CHEMBL4175418

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COc1ccc(CNC(=O)N[C@H]2C=C(C(=O)[O-])O[C@@H]([C@H](O)[C@H](O)CO)[C@@H]2NC(C)=O)cc1.[Na+]
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4175418
Phase Preclinical
Structure Type MOL
InChI Key BMMDAYMXEHHXCA-QFPQGVIUSA-M
Parent Compound CHEMBL4301714
Active Moiety CHEMBL4301714
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

453.4
MW (Da)
-1.55
ALogP
8
HBA
7
HBD
186.7
PSA (Ų)
0.23
QED
1
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H26N3NaO9
MW 475.43
Aromatic Rings 1
Heavy Atoms 32
NP-Likeness 0.28

Literature References

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

Data from ChEMBL 36 via Core Engine