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Compound Detail

CHEMBL5409372

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Cc1ccccc1C#Cc1ccc([S+]([O-])CC(=O)O)cc1

Basic Information

ChEMBL ID CHEMBL5409372
Phase Preclinical
Structure Type MOL
InChI Key JGZHMFWAPOOIQZ-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

298.4
MW (Da)
2.59
ALogP
2
HBA
1
HBD
60.4
PSA (Ų)
0.70
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H14O3S
MW 298.36
Aromatic Rings 2
Heavy Atoms 21
NP-Likeness -0.40

Activity Summary

EC50 1 meas. best 5.7

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Free fatty acid receptor 1
CHEMBL4422
EC50 5.7 5.7 2004.0 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