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Compound Detail

CHEMBL4640283

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OCC[C@@H]1[C@@H](O)[C@@H](O)[C@H](n2cnc3c(O)ncnc32)[C@@H]1F
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4640283
Phase Preclinical
Structure Type MOL
InChI Key YXAZOCDILUHSHJ-LUTUWXHWSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
6
Publications
0
Known Names

Molecular Properties

298.3
MW (Da)
-0.85
ALogP
8
HBA
4
HBD
124.5
PSA (Ų)
0.58
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C12H15FN4O4
MW 298.27
Aromatic Rings 2
Heavy Atoms 21
NP-Likeness 0.65

Literature References

PubMed DOI Target Context # Activities
31841728 10.1016/j.ejmech.2019.111956 Zika virus 1
31841728 10.1016/j.ejmech.2019.111956 SARS-CoV 1
31841728 10.1016/j.ejmech.2019.111956 Middle East respiratory syndrome-related coronavirus 1
31841728 10.1016/j.ejmech.2019.111956 Adenosylhomocysteinase 1
31841728 10.1016/j.ejmech.2019.111956 Chikungunya virus 1
31841728 10.1016/j.ejmech.2019.111956 Vero C1008 1

Data from ChEMBL 36 via Core Engine