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Compound Detail

CHEMBL24246

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CCCc1cc(Cl)c2c(c1O)C(C)C(Cc1ccc(OC)cc1)O2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL24246
Phase Preclinical
Structure Type MOL
InChI Key VSLLNGYXZIKKLY-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

346.9
MW (Da)
5.11
ALogP
3
HBA
1
HBD
38.7
PSA (Ų)
0.82
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 C20H23ClO3
MW 346.85
Aromatic Rings 2
Heavy Atoms 24
NP-Likeness 0.71

Activity Summary

IC50 1 meas. best 6.63

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
 IC50 6.63 6.63 235.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked IC50 = 235.0 nM 6.63 Inhibitory activity against Leukotriene B4 receptor in human PMN 1313879

Literature References

PubMed DOI Target Context # Activities
1313879 10.1021/jm00085a019 Unchecked 1

Data from ChEMBL 36 via Core Engine