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Compound Detail

CHEMBL5774873

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

Basic Information

ChEMBL ID CHEMBL5774873
Phase Preclinical
Structure Type MOL
InChI Key IMECUCANUVGFRR-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

458.5
MW (Da)
5.78
ALogP
5
HBA
1
HBD
73.6
PSA (Ų)
0.35
QED
1
Ro5 Violations
12
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H28F2N2O4
MW 458.51
Aromatic Rings 3
Heavy Atoms 33
NP-Likeness -0.90

Activity Summary

EC50 1 meas. best 7.87

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Peroxisome proliferator-activated receptor delta
CHEMBL3979
 EC50 7.87 7.87 13.5 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Peroxisome proliferator-activated receptor delta EC50 = 13.5 nM 7.87 Luciferase Assay: Medium including test compound was aspirated and washed with P... -

Data from ChEMBL 36 via Core Engine