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Compound Detail

CHEMBL145194

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CCCCCCC#CCOCc1cccc(CCC(=O)O)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL145194
Phase Preclinical
Structure Type MOL
InChI Key UWVJJGFPOOBXJW-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

302.4
MW (Da)
4.19
ALogP
2
HBA
1
HBD
46.5
PSA (Ų)
0.52
QED
0
Ro5 Violations
10
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H26O3
MW 302.41
Aromatic Rings 1
Heavy Atoms 22
NP-Likeness 0.39

Literature References

PubMed DOI Target Context # Activities
8960545 10.1021/jm9606047 Arachidonate 12-lipoxygenase 1

Data from ChEMBL 36 via Core Engine