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Compound Detail

CHEMBL5085860

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O=c1c2ccccc2[se]n1-c1ccccc1F
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5085860
Phase Preclinical
Structure Type MOL
InChI Key SSAOHRSPJVWNMG-UHFFFAOYSA-N
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

292.2
MW (Da)

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C13H8FNOSe
MW 292.17

Activity Summary

IC50 1 meas. best 8.13
Ki 1 meas. best 9.01

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
 Ki 9.01 9.01 1.0 1
Unchecked
CHEMBL612545
 IC50 8.13 8.13 7.5 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked Ki = 0.97 nM 9.01 Competitive inhibition of Sporosarcina pasteurii Urease assessed as inhibition c... 36661843
Unchecked IC50 = 7.48 nM 8.13 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
34570513 10.1021/acs.jmedchem.1c00566 Unchecked 1
34570513 10.1021/acs.jmedchem.1c00566 SARS-CoV-2 1

Data from ChEMBL 36 via Core Engine