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Compound Detail

CHEMBL89644

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CCCCC[C@H](O)/C=C/C=C\C/C=C\C=C\C(O)CCCC(=O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL89644
Phase Preclinical
Structure Type MOL
InChI Key UXGXCGPWGSUMNI-LGXDHIAISA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

336.5
MW (Da)
4.16
ALogP
3
HBA
3
HBD
77.8
PSA (Ų)
0.33
QED
0
Ro5 Violations
14
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C20H32O4
MW 336.47
Aromatic Rings 0
Heavy Atoms 24
NP-Likeness 1.48

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
3806609 10.1021/jm00385a005 Polyunsaturated fatty acid 5-lipoxygenase 1

Data from ChEMBL 36 via Core Engine