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Compound Detail

CHEMBL4862621

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O=c1nc2c(cn1[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)Oc1ccccc1N2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4862621
Phase Preclinical
Structure Type MOL
InChI Key LUBJJQOSRVKYAU-HKUMRIAESA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

333.3
MW (Da)
-0.30
ALogP
9
HBA
4
HBD
126.1
PSA (Ų)
0.50
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H15N3O6
MW 333.30
Aromatic Rings 2
Heavy Atoms 24
NP-Likeness 0.84

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