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Compound Detail

CHEMBL2035468

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O=c1c2ccccc2[se]n1Cc1ccc(-n2[se]c3ccccc3c2=O)cc1

Basic Information

ChEMBL ID CHEMBL2035468
Phase Preclinical
Structure Type MOL
InChI Key FQIHVYNLFCXJHM-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

484.3
MW (Da)

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H14N2O2Se2
MW 484.28

Activity Summary

IC50 1 meas. best 4.32

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Thioredoxin reductase 1, cytoplasmic
CHEMBL6035
IC50 4.32 4.32 47680.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
22579620 10.1016/j.bmc.2012.04.033 Thioredoxin reductase 1, cytoplasmic 2
22579620 10.1016/j.bmc.2012.04.033 LoVo 1
22579620 10.1016/j.bmc.2012.04.033 NON-PROTEIN TARGET 1
22579620 10.1016/j.bmc.2012.04.033 MIA PaCa-2 1

Data from ChEMBL 36 via Core Engine