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Compound Detail

CHEMBL297312

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CN(CCOc1ccc(/C=C2\SC(=O)NC2=O)cc1)c1ccccn1

Basic Information

ChEMBL ID CHEMBL297312
Phase Preclinical
Structure Type MOL
InChI Key HCDYSWMAMRPMST-QINSGFPZSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names

Molecular Properties

355.4
MW (Da)
2.92
ALogP
6
HBA
1
HBD
71.5
PSA (Ų)
0.80
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 C18H17N3O3S
MW 355.42
Aromatic Rings 2
Heavy Atoms 25
NP-Likeness -1.59

Activity Summary

EC50 1 meas. best 6.72

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Peroxisome proliferator-activated receptor gamma
CHEMBL2459
EC50 6.72 6.72 190.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
9572887 10.1021/jm970444e Rattus norvegicus 4
7966158 10.1021/jm00049a017 Mus musculus 2
10411477 10.1021/jm980622j Mus musculus 2
8576907 10.1021/jm950395a Peroxisome proliferator-activated receptor gamma 2
9572887 10.1021/jm970444e No relevant target 1
8576907 10.1021/jm950395a Peroxisome proliferator-activated receptor alpha 1
8576907 10.1021/jm950395a Peroxisome proliferator-activated receptor delta 1
8576907 10.1021/jm950395a Mus musculus 1

Data from ChEMBL 36 via Core Engine