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Compound Detail

CHEMBL484264

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CCO[C@H](Cc1cccc(C2=NOC(Cc3ccccc3)C2)c1)C(=O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL484264
Phase Preclinical
Structure Type MOL
InChI Key RMJMVMTVRSFGAV-ROPPNANJSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

353.4
MW (Da)
3.45
ALogP
4
HBA
1
HBD
68.1
PSA (Ų)
0.79
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 -0.12

Activity Summary

EC50 1 meas. best 4.38

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Peroxisome proliferator-activated receptor gamma
CHEMBL235
 EC50 4.38 4.38 41400.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Peroxisome proliferator-activated receptor gamma EC50 = 41400.0 nM 4.38 Agonist activity at human PPARgamma ligand binding domain expressed in african g... 18826205

Literature References

PubMed DOI Target Context # Activities
18826205 10.1021/jm8003416 Peroxisome proliferator-activated receptor gamma 2
18826205 10.1021/jm8003416 Peroxisome proliferator-activated receptor alpha 2

Data from ChEMBL 36 via Core Engine