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Compound Detail

CHEMBL406696

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Cc1ccc2oc(=O)cc(C)c2c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL406696
Phase Preclinical
Structure Type MOL
InChI Key VSSFMDMVOWSDBX-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

174.2
MW (Da)
2.41
ALogP
2
HBA
0
HBD
30.2
PSA (Ų)
0.57
QED
0
Ro5 Violations
0
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C11H10O2
MW 174.20
Aromatic Rings 2
Heavy Atoms 13
NP-Likeness -0.36

Literature References

PubMed DOI Target Context # Activities
18060791 10.1016/j.bmc.2007.11.038 U-937 3

Data from ChEMBL 36 via Core Engine