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Compound Detail

CHEMBL5075692

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O=c1c2ccccc2[se]n1-c1ccc(-n2cncn2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5075692
Phase Preclinical
Structure Type MOL
InChI Key OTINYUIBGAQZEH-UHFFFAOYSA-N
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

341.2
MW (Da)

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H10N4OSe
MW 341.23

Activity Summary

IC50 1 meas. best 7.42
Ki 1 meas. best 6.31

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
 IC50 7.42 7.42 38.0 1
Unchecked
CHEMBL612545
 Ki 6.31 6.31 486.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked IC50 = 38.0 nM 7.42 Inhibition of wild type Candida albicans Fructose-1,6-Bisphosphate Aldolase tran... 35099959
Unchecked Ki = 486.0 nM 6.31 Binding affinity to Candida albicans Fructose-1,6-Bisphosphate Aldolase assessed... 35099959

Literature References

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

Data from ChEMBL 36 via Core Engine