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Compound Detail

CHEMBL486145

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Cc1ccccc1C#Cc1ccc(OCC(=O)O)cc1

Basic Information

ChEMBL ID CHEMBL486145
Phase Preclinical
Structure Type MOL
InChI Key ZUXGFKWBSMEYJC-UHFFFAOYSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

266.3
MW (Da)
2.86
ALogP
2
HBA
1
HBD
46.5
PSA (Ų)
0.87
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H14O3
MW 266.30
Aromatic Rings 2
Heavy Atoms 20
NP-Likeness -0.81

Activity Summary

EC50 2 meas. best 5.43

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Free fatty acid receptor 1
CHEMBL4422
EC50 5.43 5.43 3715.0 2

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
18947221 10.1021/jm8010178 Free fatty acid receptor 1 2
18947221 10.1021/jm8010178 Free fatty acid receptor 2 1
18947221 10.1021/jm8010178 Free fatty acid receptor 3 1
31279294 10.1016/j.ejmech.2019.06.087 Free fatty acid receptor 1 1

Data from ChEMBL 36 via Core Engine