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Compound Detail

CHEMBL94042

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

Basic Information

ChEMBL ID CHEMBL94042
Phase Preclinical
Structure Type MOL
InChI Key FTAHAFIQBUCHSX-YCGXEMNDSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

230.2
MW (Da)
1.00
ALogP
6
HBA
2
HBD
93.1
PSA (Ų)
0.23
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C10H14O6
MW 230.22
Aromatic Rings 0
Heavy Atoms 16
NP-Likeness 0.13

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