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Compound Detail

CHEMBL4859178

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NOCN1c2ccccc2Oc2cn([C@H]3C[C@H](O)[C@@H](CO)O3)c(=O)nc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4859178
Phase Preclinical
Structure Type MOL
InChI Key ZFDLXFXPSSPDRT-ZLKJLUDKSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

362.3
MW (Da)
-0.02
ALogP
10
HBA
3
HBD
132.3
PSA (Ų)
0.64
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H18N4O6
MW 362.34
Aromatic Rings 2
Heavy Atoms 26
NP-Likeness 0.37

Literature References

PubMed DOI Target Context # Activities
33894564 10.1016/j.ejmech.2021.113467 Vero 1
33894564 10.1016/j.ejmech.2021.113467 SARS-CoV-2 1

Data from ChEMBL 36 via Core Engine