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Compound Detail

CHEMBL3331622

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Cc1nc(-c2ccc(OCC3CC3)c(C#N)c2)[se]c1C(=O)O

Basic Information

ChEMBL ID CHEMBL3331622
Phase Preclinical
Structure Type MOL
InChI Key OZQRSDCVZYGMMZ-UHFFFAOYSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

361.3
MW (Da)

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H14N2O3Se
MW 361.26

Activity Summary

IC50 2 meas. best 8.53

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Xanthine dehydrogenase/oxidase
CHEMBL1929
IC50 8.53 8.53 3.0 1
Xanthine dehydrogenase/oxidase
CHEMBL3649
IC50 7.88 7.88 13.3 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
25113879 10.1016/j.ejmech.2014.08.014 Xanthine dehydrogenase/oxidase 1

Data from ChEMBL 36 via Core Engine