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Compound Detail

CHEMBL484084

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CCOC(=O)c1c(Cc2cccc(Cl)c2)n(C)c2c1cc(OC)c1ccccc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL484084
Phase Preclinical
Structure Type MOL
InChI Key LVKZHMGHJZOUMG-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

407.9
MW (Da)
5.76
ALogP
4
HBA
0
HBD
40.5
PSA (Ų)
0.39
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 C24H22ClNO3
MW 407.90
Aromatic Rings 4
Heavy Atoms 29
NP-Likeness -0.42

Literature References

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

Data from ChEMBL 36 via Core Engine