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Compound Detail

CHEMBL2386366

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CS(=O)(=O)Cc1ccccc1C#Cc1ccc(CCC(=O)O)c(F)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2386366
Phase Preclinical
Structure Type MOL
InChI Key BWKPBFNKGMRIBB-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

360.4
MW (Da)
2.79
ALogP
3
HBA
1
HBD
71.4
PSA (Ų)
0.83
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H17FO4S
MW 360.41
Aromatic Rings 2
Heavy Atoms 25
NP-Likeness -1.03

Activity Summary

EC50 1 meas. best 5.84

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Free fatty acid receptor 1
CHEMBL4422
 EC50 5.84 5.84 1445.4 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Free fatty acid receptor 1 EC50 = 1445.44 nM 5.84 Agonist activity at human FFA1 receptor transfected in human 1321N1 cells by cal... 23687558

Literature References

PubMed DOI Target Context # Activities
23687558 10.1021/ml4000673 Free fatty acid receptor 1 2
23687558 10.1021/ml4000673 Free fatty acid receptor 4 1

Data from ChEMBL 36 via Core Engine