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Compound Detail

CHEMBL5639788

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

Basic Information

ChEMBL ID CHEMBL5639788
Phase Preclinical
Structure Type MOL
InChI Key VTXINFHZSAMGMN-WUKNDPDISA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

447.5
MW (Da)
6.19
ALogP
3
HBA
1
HBD
66.8
PSA (Ų)
0.30
QED
1
Ro5 Violations
10
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C27H26FNO4
MW 447.51
Aromatic Rings 3
Heavy Atoms 33
NP-Likeness -0.89

Activity Summary

IC50 1 meas. best 8.96

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Leukotriene B4 receptor 2
CHEMBL3191
 IC50 8.96 8.96 1.1 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Leukotriene B4 receptor 2 IC50 = 1.1 nM 8.96 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