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Compound Detail

CHEMBL4161380

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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)Nc1ccccc1Cl.[Na+]
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4161380
Phase Preclinical
Structure Type MOL
InChI Key KVEPIJXZDJWWAO-GNXQGIBLSA-M
Parent Compound CHEMBL4301813
Active Moiety CHEMBL4301813
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

443.8
MW (Da)
-0.58
ALogP
7
HBA
7
HBD
177.4
PSA (Ų)
0.29
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 C18H21ClN3NaO8
MW 465.82
Aromatic Rings 1
Heavy Atoms 30

Literature References

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

Data from ChEMBL 36 via Core Engine