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Compound Detail

CHEMBL5963078

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CN(Cc1ccccc1OCCCSCC(=O)O)C(=O)c1ccc(-c2ccco2)cc1

Basic Information

ChEMBL ID CHEMBL5963078
Phase Preclinical
Structure Type MOL
InChI Key IYLXUIAXKHCWGX-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

439.5
MW (Da)
4.81
ALogP
5
HBA
1
HBD
80.0
PSA (Ų)
0.43
QED
0
Ro5 Violations
11
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H25NO5S
MW 439.53
Aromatic Rings 3
Heavy Atoms 31
NP-Likeness -1.42

Activity Summary

EC50 1 meas. best 6.63

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Peroxisome proliferator-activated receptor delta
CHEMBL3979
EC50 6.63 6.63 233.0 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine