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Compound Detail

CHEMBL57358

ENOFELAST
🧪 Phase II
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🧪 Phase II
Cc1cc(/C=C/c2ccc(F)cc2)cc(C)c1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL57358
Name ENOFELAST
Phase Phase II
Structure Type MOL
InChI Key HJGJDFXTHQBVNV-ONEGZZNKSA-N

Known Names

BI-L-239 Enofelast
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
2
Known Names

Molecular Properties

242.3
MW (Da)
4.32
ALogP
1
HBA
1
HBD
20.2
PSA (Ų)
0.78
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Chirality Achiral
USAN Stem -ast
USAN Year 1992

Extended Properties

Molecular Formula C16H15FO
MW 242.29
Aromatic Rings 2
Heavy Atoms 18
NP-Likeness -0.21

Activity Summary

IC50 2 meas. best 6.92

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Polyunsaturated fatty acid 5-lipoxygenase
CHEMBL215
 IC50 6.92 6.92 120.0 1
Cyclooxygenase
CHEMBL2094253
 IC50 5.89 5.89 1300.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Polyunsaturated fatty acid 5-lipoxygenase IC50 = 120.0 nM 6.92 Inhibition of human neutrophil 5-lipoxygenase 2113949
Cyclooxygenase IC50 = 1300.0 nM 5.89 Inhibition of human platelet Prostaglandin G/H synthase 2113949

Literature References

PubMed DOI Target Context # Activities
2113949 10.1021/jm00169a010 Polyunsaturated fatty acid 5-lipoxygenase 1
2113949 10.1021/jm00169a010 Cyclooxygenase 1
2113949 10.1021/jm00169a010 Cavia porcellus 1

Data from ChEMBL 36 via Core Engine