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Compound Detail

CHEMBL1569119

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Cn1c(=S)[nH]c2c(c1=O)C(C)(C)Cc1ccccc1-2

Basic Information

ChEMBL ID CHEMBL1569119
Phase Preclinical
Structure Type MOL
InChI Key QESSEGSTHNDARV-UHFFFAOYSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

272.4
MW (Da)
2.94
ALogP
3
HBA
1
HBD
37.8
PSA (Ų)
0.75
QED
0
Ro5 Violations
0
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H16N2OS
MW 272.37
Aromatic Rings 2
Heavy Atoms 19
NP-Likeness -0.46

Activity Summary

IC50 2 meas. best 5.72

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Leucine aminopeptidase
CHEMBL1293313
IC50 5.72 5.72 1900.0 1
Peroxisome proliferator-activated receptor gamma/Nuclear receptor corepressor 2
CHEMBL2096976
IC50 5.4 5.4 3979.0 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine