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Compound Detail

CHEMBL3109728

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COC1=CC(=O)C(O)=C(Cc2ccc3ccccc3c2)C1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3109728
Phase Preclinical
Structure Type MOL
InChI Key JWLSFAVMVKIDRW-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

294.3
MW (Da)
2.88
ALogP
4
HBA
1
HBD
63.6
PSA (Ų)
0.88
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H14O4
MW 294.31
Aromatic Rings 2
Heavy Atoms 22
NP-Likeness 1.32

Literature References

PubMed DOI Target Context # Activities
23871907 10.1016/j.ejmech.2013.06.039 Polyunsaturated fatty acid 5-lipoxygenase 4
23871907 10.1016/j.ejmech.2013.06.039 Polyunsaturated fatty acid lipoxygenase ALOX12 1
23871907 10.1016/j.ejmech.2013.06.039 Polyunsaturated fatty acid lipoxygenase ALOX15 1

Data from ChEMBL 36 via Core Engine