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Compound Detail

CHEMBL238813

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CC(C)Cc1cc(=O)c2cc3c(cc2o1)OCO3
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL238813
Phase Preclinical
Structure Type MOL
InChI Key OINXYIUQDPNNSU-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

246.3
MW (Da)
2.72
ALogP
4
HBA
0
HBD
48.7
PSA (Ų)
0.82
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 C14H14O4
MW 246.26
Aromatic Rings 2
Heavy Atoms 18
NP-Likeness 0.83

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