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Compound Detail

CHEMBL341565

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COc1cccc(-c2cc(-c3ccccc3)cc(OCCCCCC(=O)O)n2)c1

Basic Information

ChEMBL ID CHEMBL341565
Phase Preclinical
Structure Type MOL
InChI Key LREYOSJLIVGRFR-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

391.5
MW (Da)
5.45
ALogP
4
HBA
1
HBD
68.7
PSA (Ų)
0.47
QED
1
Ro5 Violations
10
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H25NO4
MW 391.47
Aromatic Rings 3
Heavy Atoms 29
NP-Likeness -0.53

Activity Summary

IC50 1 meas. best 6.3

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Leukotriene B4 receptor 1
CHEMBL3911
IC50 6.3 6.3 500.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
1333012 10.1021/jm00101a008 Leukotriene B4 receptor 1 1

Data from ChEMBL 36 via Core Engine