Skip to main content
Free research Free research Free compound review with research home and workspace preview
Quick search ChEMBL 36
Compound Detail

CHEMBL3109729

Enter ChEMBL ID:
Free Research Context This compound will appear in recent viewed items on the research home for this browser.
Research home View demo workspace
O=C1C=C(O)C(=O)C(CC2CCCCC2)=C1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3109729
Phase Preclinical
Structure Type MOL
InChI Key MTOWBTLQMSWQJS-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

236.3
MW (Da)
2.36
ALogP
4
HBA
2
HBD
74.6
PSA (Ų)
0.72
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C13H16O4
MW 236.27
Aromatic Rings 0
Heavy Atoms 17
NP-Likeness 1.45

Literature References

PubMed DOI Target Context # Activities
23871907 10.1016/j.ejmech.2013.06.039 Polyunsaturated fatty acid 5-lipoxygenase 4
23871907 10.1016/j.ejmech.2013.06.039 Polyunsaturated fatty acid lipoxygenase ALOX12 1
23871907 10.1016/j.ejmech.2013.06.039 Polyunsaturated fatty acid lipoxygenase ALOX15 1

Data from ChEMBL 36 via Core Engine