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Compound Detail

CHEMBL4578798

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COCCn1cnc2c(=O)oc3ccccc3c21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4578798
Phase Preclinical
Structure Type MOL
InChI Key CHEUXZDINBESOD-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

244.2
MW (Da)
1.79
ALogP
5
HBA
0
HBD
57.3
PSA (Ų)
0.66
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 C13H12N2O3
MW 244.25
Aromatic Rings 3
Heavy Atoms 18
NP-Likeness -0.94

Literature References

PubMed DOI Target Context # Activities
31247373 10.1016/j.ejmech.2019.06.030 Toll-like receptor 7 2
31247373 10.1016/j.ejmech.2019.06.030 HEK293 1

Data from ChEMBL 36 via Core Engine