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Compound Detail

CHEMBL1416266

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CSc1cnn(Cc2ccccc2)c(=O)c1SCc1ccccc1

Basic Information

ChEMBL ID CHEMBL1416266
Phase Preclinical
Structure Type MOL
InChI Key VRTJUWSFRBTWLQ-UHFFFAOYSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

354.5
MW (Da)
4.31
ALogP
5
HBA
0
HBD
34.9
PSA (Ų)
0.62
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 C19H18N2OS2
MW 354.50
Aromatic Rings 3
Heavy Atoms 24
NP-Likeness -1.40

Activity Summary

EC50 2 meas. best 5.49

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Peroxisome proliferator-activated receptor gamma/Nuclear receptor coactivator 1
CHEMBL2095162
EC50 5.49 5.49 3267.0 1
Peroxisome proliferator-activated receptor gamma/Nuclear receptor coactivator 2
CHEMBL2095163
EC50 5.1 5.1 7939.0 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine