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Compound Detail

CHEMBL129111

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COC(=O)c1cc(Cc2ccccc2)c2ccc(OCc3cccc(C4(O)CCOCC4)c3)cc2c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL129111
Phase Preclinical
Structure Type MOL
InChI Key SWGKXYVSTXIGEA-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

482.6
MW (Da)
5.79
ALogP
5
HBA
1
HBD
65.0
PSA (Ų)
0.34
QED
1
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C31H30O5
MW 482.58
Aromatic Rings 4
Heavy Atoms 36
NP-Likeness -0.09

Literature References

PubMed DOI Target Context # Activities
8831761 10.1021/jm960301c Polyunsaturated fatty acid 5-lipoxygenase 1
8831761 10.1021/jm960301c Homo sapiens 1

Data from ChEMBL 36 via Core Engine