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Compound Detail

CHEMBL5848996

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

Basic Information

ChEMBL ID CHEMBL5848996
Phase Preclinical
Structure Type MOL
InChI Key CCSCSONTXSLLLG-FQEVSTJZSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

387.4
MW (Da)
2.07
ALogP
6
HBA
2
HBD
94.1
PSA (Ų)
0.45
QED
0
Ro5 Violations
11
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H25NO6
MW 387.43
Aromatic Rings 2
Heavy Atoms 28
NP-Likeness -0.41

Activity Summary

IC50 1 meas. best 4.21

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
 IC50 4.21 4.21 61400.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked IC50 = 61400.0 nM 4.21 Competitive Binding Assay: PPARγ binding is measured by a TR-FRET competitive bi... -

Data from ChEMBL 36 via Core Engine