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Compound Detail

CHEMBL5960113

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Cc1cnc(-c2ccc(OC(F)(F)F)cc2)n1Cc1ccccc1OCCCC(C)CC(=O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5960113
Phase Preclinical
Structure Type MOL
InChI Key GYNMVDMBFKGCCR-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

476.5
MW (Da)
6.08
ALogP
5
HBA
1
HBD
73.6
PSA (Ų)
0.34
QED
1
Ro5 Violations
11
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H27F3N2O4
MW 476.50
Aromatic Rings 3
Heavy Atoms 34
NP-Likeness -0.71

Activity Summary

EC50 1 meas. best 9.0

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Peroxisome proliferator-activated receptor delta
CHEMBL3979
 EC50 9.0 9.0 1.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Peroxisome proliferator-activated receptor delta EC50 = 1.0 nM 9.0 Luciferase Assay: Medium including test compound was aspirated and washed with P... -

Data from ChEMBL 36 via Core Engine