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

CHEMBL239030

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(-c2ccc3c(c2)OCO3)coc2cc(O)c(O)cc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL239030
Phase Preclinical
Structure Type MOL
InChI Key NHPSEEFMOLEZQR-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

298.2
MW (Da)
2.60
ALogP
6
HBA
2
HBD
89.1
PSA (Ų)
0.67
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C16H10O6
MW 298.25
Aromatic Rings 3
Heavy Atoms 22
NP-Likeness 0.85

Literature References

PubMed DOI Target Context # Activities
17869117 10.1016/j.bmc.2007.07.036 Polyunsaturated fatty acid lipoxygenase ALOX15 2
17869117 10.1016/j.bmc.2007.07.036 Polyunsaturated fatty acid lipoxygenase ALOX12 1
17869117 10.1016/j.bmc.2007.07.036 Polyunsaturated fatty acid lipoxygenase ALOX15B 1

Data from ChEMBL 36 via Core Engine