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Compound Detail

CHEMBL3416170

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CCCCCCC1=C(O)C(=O)C=C(OC)C1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3416170
Phase Preclinical
Structure Type MOL
InChI Key CWJOZEZFYYHTMZ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

238.3
MW (Da)
2.45
ALogP
4
HBA
1
HBD
63.6
PSA (Ų)
0.57
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C13H18O4
MW 238.28
Aromatic Rings 0
Heavy Atoms 17
NP-Likeness 2.19

Literature References

PubMed DOI Target Context # Activities
25765759 10.1016/j.ejmech.2015.02.042 Polyunsaturated fatty acid 5-lipoxygenase 6
25765759 10.1016/j.ejmech.2015.02.042 Macrophage-expressed gene 1 protein 2
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

Data from ChEMBL 36 via Core Engine