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Compound Detail

CHEMBL1828834

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CC(C)(CCCOc1ccc(/N=N/c2ccccc2)cc1)C(=O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1828834
Phase Preclinical
Structure Type MOL
InChI Key OPDJXWIVOBMQMQ-QZQOTICOSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

326.4
MW (Da)
5.37
ALogP
4
HBA
1
HBD
71.2
PSA (Ų)
0.52
QED
1
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H22N2O3
MW 326.40
Aromatic Rings 2
Heavy Atoms 24
NP-Likeness -0.38

Activity Summary

EC50 1 meas. best 4.36

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Peroxisome proliferator-activated receptor alpha
CHEMBL239
 EC50 4.36 4.36 43700.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Peroxisome proliferator-activated receptor alpha EC50 = 43700.0 nM 4.36 Agonist activity at Gal4-fused PPARalpha expressed in HEK293 cells after 18 hrs ... 21889235

Literature References

PubMed DOI Target Context # Activities
21889235 10.1016/j.ejmech.2011.08.022 Peroxisome proliferator-activated receptor alpha 2
21889235 10.1016/j.ejmech.2011.08.022 Unchecked 1

Data from ChEMBL 36 via Core Engine