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Compound Detail

CHEMBL1386916

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CC(C)CC(=O)NC(=S)Nc1cccc2nsnc12

Basic Information

ChEMBL ID CHEMBL1386916
Phase Preclinical
Structure Type MOL
InChI Key UOUUBWCGJLOSMH-UHFFFAOYSA-N
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

294.4
MW (Da)
2.55
ALogP
5
HBA
2
HBD
66.9
PSA (Ų)
0.85
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C12H14N4OS2
MW 294.41
Aromatic Rings 2
Heavy Atoms 19
NP-Likeness -2.28

Activity Summary

EC50 3 meas. best 5.74

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Peroxisome proliferator-activated receptor gamma/Nuclear receptor coactivator 1
CHEMBL2095162
EC50 5.74 5.74 1811.0 1
Peroxisome proliferator-activated receptor gamma/Nuclear receptor coactivator 2
CHEMBL2095163
EC50 5.53 5.53 2921.0 1
Peroxisome proliferator-activated receptor gamma/Nuclear receptor coactivator 3
CHEMBL2095161
EC50 5.1 5.1 7929.0 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine