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Compound Detail

CHEMBL5983135

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CCO[C@@H](Cc1ccc(OCCc2ccc(OS(C)(=O)=O)cc2)cc1)C(=O)NOC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5983135
Phase Preclinical
Structure Type MOL
InChI Key AMMVQSNUNXRUFR-FQEVSTJZSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

437.5
MW (Da)
2.27
ALogP
7
HBA
1
HBD
100.2
PSA (Ų)
0.40
QED
0
Ro5 Violations
12
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H27NO7S
MW 437.51
Aromatic Rings 2
Heavy Atoms 30
NP-Likeness -0.39

Activity Summary

IC50 1 meas. best 5.1

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
 IC50 5.1 5.1 7900.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked IC50 = 7900.0 nM 5.1 Competitive Binding Assay: PPARγ binding is measured by a TR-FRET competitive bi... -

Data from ChEMBL 36 via Core Engine