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Compound Detail

CHEMBL5267326

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Cc1ccc(CC(=O)O)cc1OCCN1CCN(c2nc3ccc(Cl)cc3s2)CC1

Basic Information

ChEMBL ID CHEMBL5267326
Phase Preclinical
Structure Type MOL
InChI Key OJPGGLJMCHLEIK-UHFFFAOYSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

446.0
MW (Da)
4.09
ALogP
6
HBA
1
HBD
65.9
PSA (Ų)
0.59
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H24ClN3O3S
MW 445.97
Aromatic Rings 3
Heavy Atoms 30
NP-Likeness -1.90

Activity Summary

EC50 2 meas. best 7.48

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Peroxisome proliferator-activated receptor delta
CHEMBL3979
EC50 7.48 7.48 33.0 1
Peroxisome proliferator-activated receptor delta
CHEMBL2458
EC50 6.96 6.96 110.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
36840990 10.1016/j.bmc.2023.117215 Peroxisome proliferator-activated receptor delta 4

Data from ChEMBL 36 via Core Engine