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Compound Detail

CHEMBL426483

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CCC(Cc1ccc(OC)c(CNC(=O)c2ccc(F)c(C(F)(F)F)c2)c1)C(=O)O

Basic Information

ChEMBL ID CHEMBL426483
Phase Preclinical
Structure Type MOL
InChI Key FSNBSTGIRFARMU-UHFFFAOYSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

427.4
MW (Da)
4.44
ALogP
3
HBA
2
HBD
75.6
PSA (Ų)
0.61
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H21F4NO4
MW 427.39
Aromatic Rings 2
Heavy Atoms 30
NP-Likeness -1.00

Activity Summary

EC50 2 meas. best 6.6

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Peroxisome proliferator-activated receptor alpha
CHEMBL239
EC50 6.6 6.6 250.0 1
Peroxisome proliferator-activated receptor delta
CHEMBL3979
EC50 5.7 5.7 2000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
16275077 10.1016/j.bmcl.2005.10.049 Peroxisome proliferator-activated receptor alpha 1
16275077 10.1016/j.bmcl.2005.10.049 Peroxisome proliferator-activated receptor delta 1
16275077 10.1016/j.bmcl.2005.10.049 Peroxisome proliferator-activated receptor gamma 1

Data from ChEMBL 36 via Core Engine