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Compound Detail

CHEMBL446332

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CCOC(=O)n1ccn(CC)c1=[Se]

Basic Information

ChEMBL ID CHEMBL446332
Phase Preclinical
Structure Type MOL
InChI Key GCBXSKRQITYMTM-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

247.2
MW (Da)

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C8H12N2O2Se
MW 247.16

Activity Summary

IC50 1 meas. best 4.67

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Lactoperoxidase
CHEMBL5898
IC50 4.67 4.67 21300.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Lactoperoxidase IC50 = 21300.0 nM 4.67 Inhibition of lactoperoxidase-catalyzed iodination of L-tyrosine assessed as 3,5... 18954039

Literature References

PubMed DOI Target Context # Activities
18954039 10.1021/jm800894m Lactoperoxidase 1

Data from ChEMBL 36 via Core Engine