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Compound Detail

CHEMBL3416363

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CCCCCCCCCCCCCCCCC1=C(OC)C(OC)=CC(=O)C1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3416363
Phase Preclinical
Structure Type MOL
InChI Key DIEYAJIBYVEFSJ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

392.6
MW (Da)
6.44
ALogP
4
HBA
0
HBD
52.6
PSA (Ų)
0.16
QED
1
Ro5 Violations
17
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H40O4
MW 392.58
Aromatic Rings 0
Heavy Atoms 28
NP-Likeness 1.05

Literature References

PubMed DOI Target Context # Activities
25765759 10.1016/j.ejmech.2015.02.042 Polyunsaturated fatty acid 5-lipoxygenase 3
25765759 10.1016/j.ejmech.2015.02.042 Polyunsaturated fatty acid lipoxygenase ALOX12 1
25765759 10.1016/j.ejmech.2015.02.042 Polyunsaturated fatty acid lipoxygenase ALOX15 1
25765759 10.1016/j.ejmech.2015.02.042 Macrophage-expressed gene 1 protein 1

Data from ChEMBL 36 via Core Engine