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Compound Detail

CHEMBL396673

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CC(C)Cc1cc(=O)c2ccc(O)cc2o1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL396673
Phase Preclinical
Structure Type MOL
InChI Key NKRSGSWIAQOUDI-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

218.2
MW (Da)
2.70
ALogP
3
HBA
1
HBD
50.4
PSA (Ų)
0.84
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C13H14O3
MW 218.25
Aromatic Rings 2
Heavy Atoms 16
NP-Likeness 1.05

Literature References

PubMed DOI Target Context # Activities
17869117 10.1016/j.bmc.2007.07.036 Polyunsaturated fatty acid lipoxygenase ALOX12 1
17869117 10.1016/j.bmc.2007.07.036 Polyunsaturated fatty acid lipoxygenase ALOX15 1
17869117 10.1016/j.bmc.2007.07.036 Polyunsaturated fatty acid lipoxygenase ALOX15B 1

Data from ChEMBL 36 via Core Engine