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Compound Detail

CHEMBL5989366

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Cc1ccc(-c2ncc(C)n2Cc2ccccc2OCCCC(C)CC(=O)O)cc1

Basic Information

ChEMBL ID CHEMBL5989366
Phase Preclinical
Structure Type MOL
InChI Key IGEYBBZLLOTKIF-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

406.5
MW (Da)
5.49
ALogP
4
HBA
1
HBD
64.3
PSA (Ų)
0.45
QED
1
Ro5 Violations
10
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H30N2O3
MW 406.53
Aromatic Rings 3
Heavy Atoms 30
NP-Likeness -0.60

Activity Summary

EC50 1 meas. best 7.61

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Peroxisome proliferator-activated receptor delta
CHEMBL3979
EC50 7.61 7.61 24.3 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine