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Compound Detail

CHEMBL278987

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CC1(C)c2cc(O)c(CCCOc3ccccc3)cc2OC1CCc1ccc(Cl)cc1

Basic Information

ChEMBL ID CHEMBL278987
Phase Preclinical
Structure Type MOL
InChI Key CSYFESCVYXXHFC-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

437.0
MW (Da)
6.73
ALogP
3
HBA
1
HBD
38.7
PSA (Ų)
0.40
QED
1
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C27H29ClO3
MW 436.98
Aromatic Rings 3
Heavy Atoms 31
NP-Likeness 0.60

Activity Summary

IC50 1 meas. best 6.33

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
IC50 6.33 6.33 472.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked IC50 = 472.0 nM 6.33 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