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Compound Detail

CHEMBL5640036

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CCCCC(=O)N(Cc1ccc(-c2ccc(C(=O)O)cc2)cc1)c1cccc(F)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5640036
Phase Preclinical
Structure Type MOL
InChI Key ULIQIXSXQQBMIA-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

405.5
MW (Da)
5.91
ALogP
2
HBA
1
HBD
57.6
PSA (Ų)
0.51
QED
1
Ro5 Violations
8
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H24FNO3
MW 405.47
Aromatic Rings 3
Heavy Atoms 30
NP-Likeness -1.23

Activity Summary

IC50 1 meas. best 8.92

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Leukotriene B4 receptor 2
CHEMBL3191
 IC50 8.92 8.92 1.2 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Leukotriene B4 receptor 2 IC50 = 1.2 nM 8.92 Antagonist activity at human BLT2 expressed in CHO cells assessed as inhibition ... 37839347

Literature References

PubMed DOI Target Context # Activities
37839347 10.1016/j.ejmech.2023.115864 Leukotriene B4 receptor 2 1
37839347 10.1016/j.ejmech.2023.115864 CHO 1

Data from ChEMBL 36 via Core Engine