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Compound Detail

CHEMBL5764752

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Cc1cnc(-c2ccc(C(F)(F)F)nc2)n1Cc1ccccc1OCCCCCC(=O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5764752
Phase Preclinical
Structure Type MOL
InChI Key VBZUWLUKOOOEPT-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

447.5
MW (Da)
5.34
ALogP
5
HBA
1
HBD
77.2
PSA (Ų)
0.42
QED
1
Ro5 Violations
10
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H24F3N3O3
MW 447.46
Aromatic Rings 3
Heavy Atoms 32
NP-Likeness -0.97

Activity Summary

EC50 1 meas. best 8.42

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Peroxisome proliferator-activated receptor delta
CHEMBL3979
 EC50 8.42 8.42 3.8 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Peroxisome proliferator-activated receptor delta EC50 = 3.8 nM 8.42 Luciferase Assay: Medium including test compound was aspirated and washed with P... -

Data from ChEMBL 36 via Core Engine