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Compound Detail

CHEMBL145929

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C/C(O)=C/C(C)=N/[C@@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)O

Basic Information

ChEMBL ID CHEMBL145929
Phase Preclinical
Structure Type MOL
InChI Key FVBLTIXPLVSMFT-YHDLKQJUSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

353.4
MW (Da)
4.18
ALogP
4
HBA
2
HBD
79.1
PSA (Ų)
0.55
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 C21H23NO4
MW 353.42
Aromatic Rings 2
Heavy Atoms 26
NP-Likeness 0.03

Activity Summary

Ki 1 meas. best 5.71

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Peroxisome proliferator-activated receptor gamma
CHEMBL235
Ki 5.71 5.71 1949.8 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
9836620 10.1021/jm9804127 Peroxisome proliferator-activated receptor gamma 2

Data from ChEMBL 36 via Core Engine