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Compound Detail

CHEMBL94220

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CCOC(=O)C(=O)C=C/C(C(=O)c1ccccc1)=C(\O)OCC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL94220
Phase Preclinical
Structure Type MOL
InChI Key YWDKZFYCWMENOP-VPDTVVQJSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

318.3
MW (Da)
2.36
ALogP
6
HBA
1
HBD
89.9
PSA (Ų)
0.20
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H18O6
MW 318.32
Aromatic Rings 1
Heavy Atoms 23
NP-Likeness 0.07

Literature References

PubMed DOI Target Context # Activities
2213827 10.1021/jm00172a010 Polyunsaturated fatty acid 5-lipoxygenase 2
2213827 10.1021/jm00172a010 Cyclooxygenase 1
2213827 10.1021/jm00172a010 Mus musculus 1

Data from ChEMBL 36 via Core Engine