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Compound Detail

CHEMBL5437031

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O=c1c2ccccc2[se]n1-c1ccccc1Cl
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5437031
Phase Preclinical
Structure Type MOL
InChI Key CIDKFQYPQJLGJA-UHFFFAOYSA-N
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

308.6
MW (Da)

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C13H8ClNOSe
MW 308.63

Activity Summary

IC50 1 meas. best 7.87
Ki 1 meas. best 7.86

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
 IC50 7.87 7.87 13.6 1
Unchecked
CHEMBL612545
 Ki 7.86 7.86 13.7 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked IC50 = 13.6 nM 7.87 Inhibition of Proteus mirabilis PCM 543 Urease in PBS buffer measured for 1.5 hr... 36661843
Unchecked Ki = 13.7 nM 7.86 Competitive inhibition of Sporosarcina pasteurii Urease assessed as inhibition c... 36661843

Literature References

PubMed DOI Target Context # Activities
36661843 10.1021/acs.jmedchem.2c01799 Unchecked 4

Data from ChEMBL 36 via Core Engine