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Compound Detail

CHEMBL233041

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CC(=O)CC(c1ccccc1)c1c(Cl)c2ccccc2oc1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL233041
Phase Preclinical
Structure Type MOL
InChI Key VJFZSKKOEMJEIV-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

326.8
MW (Da)
4.56
ALogP
3
HBA
0
HBD
47.3
PSA (Ų)
0.66
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 C19H15ClO3
MW 326.78
Aromatic Rings 3
Heavy Atoms 23
NP-Likeness 0.07

Literature References

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

Data from ChEMBL 36 via Core Engine