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Compound Detail

CHEMBL329819

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COc1c(C(CC(C)=O)c2ccccc2)c(=O)oc2ccccc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL329819
Phase Preclinical
Structure Type MOL
InChI Key FGAWENWBTHQLEE-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

322.4
MW (Da)
3.91
ALogP
4
HBA
0
HBD
56.5
PSA (Ų)
0.67
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H18O4
MW 322.36
Aromatic Rings 3
Heavy Atoms 24
NP-Likeness 0.37

Literature References

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

Data from ChEMBL 36 via Core Engine