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Compound Detail

CHEMBL5435507

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

Basic Information

ChEMBL ID CHEMBL5435507
Phase Preclinical
Structure Type MOL
InChI Key RDGPCMSVTZXHHS-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

410.5
MW (Da)
4.41
ALogP
4
HBA
1
HBD
80.7
PSA (Ų)
0.62
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H22O5S
MW 410.49
Aromatic Rings 3
Heavy Atoms 29
NP-Likeness -0.71

Activity Summary

EC50 1 meas. best 6.14

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Free fatty acid receptor 1
CHEMBL4422
EC50 6.14 6.14 716.0 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