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Compound Detail

CHEMBL5421457

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Cc1cc(-n2[se]c3ccccc3c2=O)ccc1Cl
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5421457
Phase Preclinical
Structure Type MOL
InChI Key SQNQZGDRQIFWBM-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 7.62
Ki 1 meas. best 8.61

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
 Ki 8.61 8.61 2.5 1
Unchecked
CHEMBL612545
 IC50 7.62 7.62 23.8 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked Ki = 2.45 nM 8.61 Competitive inhibition of Sporosarcina pasteurii Urease assessed as inhibition c... 36661843
Unchecked IC50 = 23.8 nM 7.62 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