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Compound Detail

CHEMBL3678104

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CCC(NC(=O)c1ccc2c(ccn2S(=O)(=O)c2ccc(C)cc2)c1)c1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3678104
Phase Preclinical
Structure Type MOL
InChI Key NEIUETKNDJTHMO-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

432.6
MW (Da)
5.07
ALogP
4
HBA
1
HBD
68.2
PSA (Ų)
0.46
QED
1
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H24N2O3S
MW 432.55
Aromatic Rings 4
Heavy Atoms 31
NP-Likeness -1.37

Activity Summary

IC50 1 meas. best 7.01

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Peroxisome proliferator-activated receptor gamma
CHEMBL235
 IC50 7.01 7.01 98.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Peroxisome proliferator-activated receptor gamma IC50 = 98.0 nM 7.01 Lanthascreen Competitive Binding Assay: The assay was performed according to man... -

Data from ChEMBL 36 via Core Engine