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Compound Detail

CHEMBL5432772

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Cc1cccc(C)c1-c1ccc(COc2ccc([S+]([O-])CC(=O)O)cc2)cc1

Basic Information

ChEMBL ID CHEMBL5432772
Phase Preclinical
Structure Type MOL
InChI Key WENNEXWLMNMNJK-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

394.5
MW (Da)
4.74
ALogP
3
HBA
1
HBD
69.6
PSA (Ų)
0.59
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H22O4S
MW 394.49
Aromatic Rings 3
Heavy Atoms 28
NP-Likeness -0.18

Activity Summary

EC50 1 meas. best 6.34

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Free fatty acid receptor 1
CHEMBL4422
EC50 6.34 6.34 453.8 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
36933395 10.1016/j.ejmech.2023.115267 Free fatty acid receptor 1 2

Data from ChEMBL 36 via Core Engine