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Compound Detail

CHEMBL5410446

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O=c1c2ccccc2[se]n1-c1cc(Cl)ccc1Cl
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5410446
Phase Preclinical
Structure Type MOL
InChI Key KUVXUHFPWFJGLS-UHFFFAOYSA-N
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

343.1
MW (Da)

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C13H7Cl2NOSe
MW 343.07

Activity Summary

IC50 1 meas. best 7.67
Ki 1 meas. best 7.58

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
 IC50 7.67 7.67 21.2 1
Unchecked
CHEMBL612545
 Ki 7.58 7.58 26.6 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked IC50 = 21.2 nM 7.67 Inhibition of Proteus mirabilis PCM 543 Urease in PBS buffer measured for 1.5 hr... 36661843
Unchecked Ki = 26.55 nM 7.58 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