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Compound Detail

CHEMBL4468237

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O=C(O)c1cccc(NCc2ccc(OCc3ccc(F)cc3)c(OCc3ccc(F)cc3)c2)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4468237
Phase Preclinical
Structure Type MOL
InChI Key DASUAWKEDQOGCY-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

475.5
MW (Da)
6.43
ALogP
4
HBA
2
HBD
67.8
PSA (Ų)
0.28
QED
1
Ro5 Violations
10
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C28H23F2NO4
MW 475.49
Aromatic Rings 4
Heavy Atoms 35
NP-Likeness -0.80

Activity Summary

EC50 1 meas. best 6.09

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Peroxisome proliferator-activated receptor alpha
CHEMBL239
 EC50 6.09 6.09 810.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Peroxisome proliferator-activated receptor alpha EC50 = 810.0 nM 6.09 Agonist activity at human PPARalpha expressed in nonhuman mammalian cells assess... 32096640

Literature References

PubMed DOI Target Context # Activities
32096640 10.1021/acs.jmedchem.9b01189 Peroxisome proliferator-activated receptor alpha 3

Data from ChEMBL 36 via Core Engine