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Compound Detail

CHEMBL5740441

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Cc1cnc(-c2ccc(Cl)c(F)c2)n1Cc1ccccc1OCCCCC(C)(C)C(=O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5740441
Phase Preclinical
Structure Type MOL
InChI Key GCESMSWRWMRRHD-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

459.0
MW (Da)
6.36
ALogP
4
HBA
1
HBD
64.3
PSA (Ų)
0.36
QED
1
Ro5 Violations
10
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H28ClFN2O3
MW 458.96
Aromatic Rings 3
Heavy Atoms 32
NP-Likeness -1.06

Activity Summary

EC50 1 meas. best 7.73

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Peroxisome proliferator-activated receptor delta
CHEMBL3979
 EC50 7.73 7.73 18.8 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Peroxisome proliferator-activated receptor delta EC50 = 18.8 nM 7.73 Luciferase Assay: Medium including test compound was aspirated and washed with P... -

Data from ChEMBL 36 via Core Engine