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Compound Detail

CHEMBL4438226

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CC(C)(Oc1ccc(OCCc2ccc(/N=N/c3ccc(C(F)(F)F)cc3)cc2)cc1)C(=O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4438226
Phase Preclinical
Structure Type MOL
InChI Key IVNPTURJCAQYEW-QVIHXGFCSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

472.5
MW (Da)
6.98
ALogP
5
HBA
1
HBD
80.5
PSA (Ų)
0.34
QED
1
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H23F3N2O4
MW 472.46
Aromatic Rings 3
Heavy Atoms 34
NP-Likeness -0.62

Activity Summary

EC50 1 meas. best 5.66

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Peroxisome proliferator-activated receptor alpha
CHEMBL239
 EC50 5.66 5.66 2200.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Peroxisome proliferator-activated receptor alpha EC50 = 2200.0 nM 5.66 Transactivation of GAL4-tagged human PPARalpha LBD expressed in human HepG2 cell... 30996794

Literature References

PubMed DOI Target Context # Activities
30996794 10.1021/acsmedchemlett.8b00574 Peroxisome proliferator-activated receptor alpha 2
30996794 10.1021/acsmedchemlett.8b00574 Peroxisome proliferator-activated receptor gamma 2
30996794 10.1021/acsmedchemlett.8b00574 Peroxisome proliferator-activated receptor delta 2

Data from ChEMBL 36 via Core Engine