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Compound Detail

CHEMBL5433841

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Cc1ccc(Cl)c(-n2[se]c3ccccc3c2=O)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5433841
Phase Preclinical
Structure Type MOL
InChI Key AOEJTDAXJFGXLE-UHFFFAOYSA-N
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

322.6
MW (Da)

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C14H10ClNOSe
MW 322.65

Activity Summary

IC50 1 meas. best 7.27
Ki 1 meas. best 8.79

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
 Ki 8.79 8.79 1.6 1
Unchecked
CHEMBL612545
 IC50 7.27 7.27 54.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked Ki = 1.63 nM 8.79 Competitive inhibition of Sporosarcina pasteurii Urease assessed as inhibition c... 36661843
Unchecked IC50 = 54.0 nM 7.27 Inhibition of Proteus mirabilis PCM 543 Urease in PBS buffer measured for 1.5 hr... 36661843

Literature References

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

Data from ChEMBL 36 via Core Engine