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Compound Detail

CHEMBL343710

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O=C(O)CCCCCOc1cc(-c2ccccc2Cl)cc(-c2ccccc2)n1

Basic Information

ChEMBL ID CHEMBL343710
Phase Preclinical
Structure Type MOL
InChI Key HHLWAWRHPDQPLH-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

395.9
MW (Da)
6.09
ALogP
3
HBA
1
HBD
59.4
PSA (Ų)
0.44
QED
1
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H22ClNO3
MW 395.89
Aromatic Rings 3
Heavy Atoms 28
NP-Likeness -0.67

Activity Summary

IC50 1 meas. best 6.7

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Leukotriene B4 receptor 1
CHEMBL3911
IC50 6.7 6.7 200.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
1333012 10.1021/jm00101a008 Leukotriene B4 receptor 1 2

Data from ChEMBL 36 via Core Engine