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Compound Detail

CHEMBL6056389

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Cc1cnc(-c2ccc(Cl)cc2)n1Cc1ccccc1OCCCC(C)CC(=O)O

Basic Information

ChEMBL ID CHEMBL6056389
Phase Preclinical
Structure Type MOL
InChI Key MUHAFFSXFYIHJM-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

426.9
MW (Da)
5.83
ALogP
4
HBA
1
HBD
64.3
PSA (Ų)
0.41
QED
1
Ro5 Violations
10
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H27ClN2O3
MW 426.94
Aromatic Rings 3
Heavy Atoms 30
NP-Likeness -0.70

Activity Summary

EC50 1 meas. best 8.11

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Peroxisome proliferator-activated receptor delta
CHEMBL3979
EC50 8.11 8.11 7.8 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine