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Compound Detail

CHEMBL407916

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

Basic Information

ChEMBL ID CHEMBL407916
Phase Preclinical
Structure Type MOL
InChI Key WKFMLYXUJCVEGR-VFEDGGCQSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

214.2
MW (Da)
1.11
ALogP
5
HBA
1
HBD
72.8
PSA (Ų)
0.24
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 C10H14O5
MW 214.22
Aromatic Rings 0
Heavy Atoms 15
NP-Likeness 0.55

Literature References

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

Data from ChEMBL 36 via Core Engine