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Compound Detail

CHEMBL144428

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CCCCCCCCCCCCCCC#CCOCc1ccc(CCC(=O)O)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL144428
Phase Preclinical
Structure Type MOL
InChI Key HZMXXJOBPCMVNT-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

414.6
MW (Da)
7.32
ALogP
2
HBA
1
HBD
46.5
PSA (Ų)
0.20
QED
1
Ro5 Violations
18
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C27H42O3
MW 414.63
Aromatic Rings 1
Heavy Atoms 30
NP-Likeness 0.30

Literature References

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

Data from ChEMBL 36 via Core Engine