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Compound Detail

CHEMBL482645

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CCOC(=O)c1c(Cc2cccc(Cl)c2)[nH]c2c1cc(-c1ccccc1)c1ccccc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL482645
Phase Preclinical
Structure Type MOL
InChI Key TWCZNAPRNDKAHH-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

439.9
MW (Da)
7.41
ALogP
2
HBA
1
HBD
42.1
PSA (Ų)
0.29
QED
1
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C28H22ClNO2
MW 439.94
Aromatic Rings 5
Heavy Atoms 32
NP-Likeness -0.34

Literature References

PubMed DOI Target Context # Activities
19492852 10.1021/jm900212y Polyunsaturated fatty acid 5-lipoxygenase 2

Data from ChEMBL 36 via Core Engine