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Compound Detail

CHEMBL5408526

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Cc1nc(-c2cc(C#N)c3c(c2)CC2(CCCC2)O3)[se]c1C(=O)O

Basic Information

ChEMBL ID CHEMBL5408526
Phase Preclinical
Structure Type MOL
InChI Key VJVQNLIXKRUVBZ-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

387.3
MW (Da)

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H16N2O3Se
MW 387.30

Activity Summary

IC50 1 meas. best 8.8

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Xanthine dehydrogenase/oxidase
CHEMBL3649
IC50 8.8 8.8 1.6 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Xanthine dehydrogenase/oxidase IC50 = 1.58 nM 8.8 Inhibition of Bovine milk XO measured after 30 mins 37974965

Literature References

PubMed DOI Target Context # Activities
37974965 10.1039/d3md00316g Xanthine dehydrogenase/oxidase 1

Data from ChEMBL 36 via Core Engine