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Compound Detail

CHEMBL1169827

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Cc1cc([Se]Cc2sc(-c3ccc(C(F)(F)F)cc3)nc2C)ccc1OCC(=O)O

Basic Information

ChEMBL ID CHEMBL1169827
Phase Preclinical
Structure Type MOL
InChI Key SGRNBEGQBHHKMY-UHFFFAOYSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

500.4
MW (Da)

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H18F3NO3SSe
MW 500.40

Activity Summary

EC50 2 meas. best 9.05

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Peroxisome proliferator-activated receptor delta
CHEMBL3979
EC50 9.05 9.05 0.9 1
Peroxisome proliferator-activated receptor delta
CHEMBL2458
EC50 8.64 8.64 2.3 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
21074432 10.1016/j.bmcl.2010.10.103 Mus musculus 15
21074432 10.1016/j.bmcl.2010.10.103 Peroxisome proliferator-activated receptor delta 4
20542425 10.1016/j.bmcl.2010.05.094 PPAR delta/gamma 2
21074432 10.1016/j.bmcl.2010.10.103 Peroxisome proliferator-activated receptor alpha 2
21074432 10.1016/j.bmcl.2010.10.103 Peroxisome proliferator-activated receptor gamma 2

Data from ChEMBL 36 via Core Engine