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Compound Detail

CHEMBL24860

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CS(=O)(=O)c1ccc(Cc2cc3c(cc2O)CC(CCc2ccccc2)O3)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL24860
Phase Preclinical
Structure Type MOL
InChI Key SQDCSZMVWAQBCP-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

408.5
MW (Da)
4.32
ALogP
4
HBA
1
HBD
63.6
PSA (Ų)
0.66
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H24O4S
MW 408.52
Aromatic Rings 3
Heavy Atoms 29
NP-Likeness 0.21

Activity Summary

IC50 1 meas. best 6.72

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
 IC50 6.72 6.72 190.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked IC50 = 190.0 nM 6.72 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