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Compound Detail

CHEMBL5877552

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CCO[C@H](Cc1ccc(OCC(=O)c2cccc(CO)c2)cc1)C(=O)N(C)OC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5877552
Phase Preclinical
Structure Type MOL
InChI Key PGHBRJMNCXCVBI-OAQYLSRUSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

401.5
MW (Da)
2.41
ALogP
6
HBA
1
HBD
85.3
PSA (Ų)
0.46
QED
0
Ro5 Violations
11
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H27NO6
MW 401.46
Aromatic Rings 2
Heavy Atoms 29
NP-Likeness -0.51

Activity Summary

IC50 1 meas. best 4.52

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
 IC50 4.52 4.52 30500.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked IC50 = 30500.0 nM 4.52 Competitive Binding Assay: PPARγ binding is measured by a TR-FRET competitive bi... -

Data from ChEMBL 36 via Core Engine