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Compound Detail

CHEMBL5646994

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

Basic Information

ChEMBL ID CHEMBL5646994
Phase Preclinical
Structure Type MOL
InChI Key AFBCPBDHCSEDDJ-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

485.5
MW (Da)
6.56
ALogP
3
HBA
1
HBD
66.8
PSA (Ų)
0.35
QED
1
Ro5 Violations
10
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C27H26F3NO4
MW 485.50
Aromatic Rings 3
Heavy Atoms 35
NP-Likeness -1.26

Activity Summary

IC50 1 meas. best 8.68

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Leukotriene B4 receptor 2
CHEMBL3191
 IC50 8.68 8.68 2.1 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Leukotriene B4 receptor 2 IC50 = 2.1 nM 8.68 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