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Compound Detail

CHEMBL1335392

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CC(C)Sc1oc(-c2ccco2)nc1S(=O)(=O)c1ccccc1

Basic Information

ChEMBL ID CHEMBL1335392
Phase Preclinical
Structure Type MOL
InChI Key ZNHCFRZFVJAVPF-UHFFFAOYSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

349.4
MW (Da)
4.27
ALogP
6
HBA
0
HBD
73.3
PSA (Ų)
0.64
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H15NO4S2
MW 349.43
Aromatic Rings 3
Heavy Atoms 23
NP-Likeness -1.79

Activity Summary

EC50 2 meas. best 5.19

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Peroxisome proliferator-activated receptor gamma/Nuclear receptor coactivator 1
CHEMBL2095162
EC50 5.19 5.19 6482.0 1
Peroxisome proliferator-activated receptor gamma/Nuclear receptor coactivator 2
CHEMBL2095163
EC50 5.03 5.03 9319.0 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine