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Compound Detail

CHEMBL1343936

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CCc1cc2cc(C(=O)Nc3ccc(C)cc3)sc2s1

Basic Information

ChEMBL ID CHEMBL1343936
Phase Preclinical
Structure Type MOL
InChI Key DXHJEQMKKBQGDG-UHFFFAOYSA-N
5
Targets
5
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

301.4
MW (Da)
5.09
ALogP
3
HBA
1
HBD
29.1
PSA (Ų)
0.72
QED
1
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H15NOS2
MW 301.44
Aromatic Rings 3
Heavy Atoms 20
NP-Likeness -1.71

Activity Summary

EC50 3 meas. best 4.55
IC50 2 meas. best 5.87

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
IC50 5.87 5.87 1345.0 1
Peroxisome proliferator-activated receptor gamma/Nuclear receptor corepressor 2
CHEMBL2096976
IC50 5.65 5.65 2251.0 1
Peroxisome proliferator-activated receptor gamma/Nuclear receptor coactivator 2
CHEMBL2095163
EC50 4.55 4.55 28120.0 1
Peroxisome proliferator-activated receptor gamma/Nuclear receptor coactivator 1
CHEMBL2095162
EC50 4.3 4.3 50410.0 1
Peroxisome proliferator-activated receptor gamma/Nuclear receptor coactivator 3
CHEMBL2095161
EC50 4.29 4.29 50830.0 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine