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Compound Detail

CHEMBL1812155

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CC(=O)COC1=C(C)C(=O)C(=O)c2ccccc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1812155
Phase Preclinical
Structure Type MOL
InChI Key RIEUSNFNOBLMNQ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

244.2
MW (Da)
1.79
ALogP
4
HBA
0
HBD
60.4
PSA (Ų)
0.76
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C14H12O4
MW 244.25
Aromatic Rings 1
Heavy Atoms 18
NP-Likeness 0.62

Literature References

PubMed DOI Target Context # Activities
21600681 10.1016/j.ejmech.2011.04.059 NON-PROTEIN TARGET 2

Data from ChEMBL 36 via Core Engine