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Compound Detail

CHEMBL395980

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CC(=O)CC(c1ccccc1)c1cc2ccccc2oc1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL395980
Phase Preclinical
Structure Type MOL
InChI Key QEZUHMCEMCFPRE-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

292.3
MW (Da)
3.90
ALogP
3
HBA
0
HBD
47.3
PSA (Ų)
0.69
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H16O3
MW 292.33
Aromatic Rings 3
Heavy Atoms 22
NP-Likeness 0.14

Literature References

PubMed DOI Target Context # Activities
17275317 10.1016/j.bmc.2007.01.014 Unchecked 1

Data from ChEMBL 36 via Core Engine