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Compound Detail

CHEMBL5933286

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CN(Cc1ccccc1OCc1cccc(OCC(=O)O)c1)C(=O)c1ccc(-c2ccco2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5933286
Phase Preclinical
Structure Type MOL
InChI Key ZYTYPZQBEMQQLA-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

471.5
MW (Da)
5.26
ALogP
5
HBA
1
HBD
89.2
PSA (Ų)
0.34
QED
1
Ro5 Violations
10
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C28H25NO6
MW 471.51
Aromatic Rings 4
Heavy Atoms 35
NP-Likeness -1.26

Activity Summary

EC50 1 meas. best 6.2

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Peroxisome proliferator-activated receptor delta
CHEMBL3979
 EC50 6.2 6.2 628.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Peroxisome proliferator-activated receptor delta EC50 = 628.0 nM 6.2 Luciferase Assay: Medium including test compound was aspirated and washed with P... -

Data from ChEMBL 36 via Core Engine