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Compound Detail

CHEMBL4516239

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Cc1cc(Cc2cc(-c3ccccc3)on2)cc(C)c1OC(C)(C)C(=O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4516239
Phase Preclinical
Structure Type MOL
InChI Key XITCPDHPOZOQKK-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

365.4
MW (Da)
4.79
ALogP
4
HBA
1
HBD
72.6
PSA (Ų)
0.68
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H23NO4
MW 365.43
Aromatic Rings 3
Heavy Atoms 27
NP-Likeness -0.59

Activity Summary

EC50 1 meas. best 6.42

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Peroxisome proliferator-activated receptor alpha
CHEMBL239
 EC50 6.42 6.42 385.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Peroxisome proliferator-activated receptor alpha EC50 = 385.0 nM 6.42 Agonist activity at PPARalpha (unknown origin) incubated for 3 to 16 hrs by path... 31312410

Literature References

PubMed DOI Target Context # Activities
31312410 10.1021/acsmedchemlett.9b00189 Peroxisome proliferator-activated receptor alpha 2

Data from ChEMBL 36 via Core Engine