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Compound Detail

CHEMBL314595

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CON(C)C(=O)CCc1ccc2c(c1)C(=O)c1ccccc1CO2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL314595
Phase Preclinical
Structure Type MOL
InChI Key JZBWZBUGKBYQQV-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

325.4
MW (Da)
2.76
ALogP
4
HBA
0
HBD
55.8
PSA (Ų)
0.81
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H19NO4
MW 325.36
Aromatic Rings 2
Heavy Atoms 24
NP-Likeness -0.27

Literature References

PubMed DOI Target Context # Activities
8568814 10.1021/jm950563z Polyunsaturated fatty acid 5-lipoxygenase 1
8568814 10.1021/jm950563z Mus musculus 1

Data from ChEMBL 36 via Core Engine