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Compound Detail

CHEMBL147608

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

Basic Information

ChEMBL ID CHEMBL147608
Phase Preclinical
Structure Type MOL
InChI Key KAFHLONDOVSENM-HNNXBMFYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

271.3
MW (Da)
2.22
ALogP
3
HBA
2
HBD
72.5
PSA (Ų)
0.84
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H17NO3
MW 271.32
Aromatic Rings 2
Heavy Atoms 20

Activity Summary

EC50 1 meas. best 5.6

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Peroxisome proliferator-activated receptor gamma
CHEMBL235
EC50 5.6 5.6 2511.9 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