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Compound Detail

CHEMBL1630380

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Cc1cc([Se]Cc2sc(-c3ccc(C(F)(F)F)cc3)nc2C)ccc1OC(C)(C)C(=O)O

Basic Information

ChEMBL ID CHEMBL1630380
Phase Preclinical
Structure Type MOL
InChI Key VBDRHIJGEFBGCV-UHFFFAOYSA-N
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

528.5
MW (Da)

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H22F3NO3SSe
MW 528.45

Activity Summary

EC50 3 meas. best 8.35

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Peroxisome proliferator-activated receptor delta
CHEMBL3979
EC50 8.35 8.35 4.5 1
Peroxisome proliferator-activated receptor alpha
CHEMBL239
EC50 7.82 7.82 15.2 1
Peroxisome proliferator-activated receptor gamma
CHEMBL235
EC50 7.0 7.0 100.2 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
21074432 10.1016/j.bmcl.2010.10.103 Peroxisome proliferator-activated receptor alpha 1
21074432 10.1016/j.bmcl.2010.10.103 Peroxisome proliferator-activated receptor delta 1
21074432 10.1016/j.bmcl.2010.10.103 Peroxisome proliferator-activated receptor gamma 1

Data from ChEMBL 36 via Core Engine