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Compound Detail

CHEMBL5083255

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O=c1c2ccccc2[se]n1-c1ccc(F)cc1F
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5083255
Phase Preclinical
Structure Type MOL
InChI Key FXQQQVCODYDNGH-UHFFFAOYSA-N
1
Targets
3
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

310.2
MW (Da)

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C13H7F2NOSe
MW 310.16

Activity Summary

IC50 2 meas. best 7.77
Ki 1 meas. best 10.8

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
 Ki 10.8 10.8 0.0 1
Unchecked
CHEMBL612545
 IC50 7.77 7.425 17.0 2

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked Ki = 0.016 nM 10.8 Competitive inhibition of Sporosarcina pasteurii Urease assessed as inhibition c... 36661843
Unchecked IC50 = 17.0 nM 7.77 Inhibition of Proteus mirabilis PCM 543 Urease in PBS buffer measured for 1.5 hr... 36661843
Unchecked IC50 = 84.0 nM 7.08 Inhibition of wild type Candida albicans Fructose-1,6-Bisphosphate Aldolase tran... 35099959

Literature References

PubMed DOI Target Context # Activities
35099959 10.1021/acs.jmedchem.1c02102 Candida albicans 4
36661843 10.1021/acs.jmedchem.2c01799 Unchecked 4
35099959 10.1021/acs.jmedchem.1c02102 Unchecked 1
35099959 10.1021/acs.jmedchem.1c02102 HaCaT 1

Data from ChEMBL 36 via Core Engine