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Compound Detail

CHEMBL4575133

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COc1ccc2oc(=O)c3ncn(CC(C)C)c3c2c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4575133
Phase Preclinical
Structure Type MOL
InChI Key XMDMXWQPVBSNLR-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

272.3
MW (Da)
2.81
ALogP
5
HBA
0
HBD
57.3
PSA (Ų)
0.69
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 C15H16N2O3
MW 272.30
Aromatic Rings 3
Heavy Atoms 20
NP-Likeness -0.57

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