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Compound Detail

CHEMBL5197006

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CO[C@H]1C(=O)N2C(C(=O)O)=C(C[Se]c3ccccc3)CS[C@H]12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5197006
Phase Preclinical
Structure Type MOL
InChI Key RUBHPORBZSGSTE-GXTWGEPZSA-N
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

384.3
MW (Da)

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H15NO4SSe
MW 384.31

Activity Summary

IC50 3 meas. best 6.72

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
 IC50 6.72 5.7067 190.0 3

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked IC50 = 190.0 nM 6.72 Inhibition of bacterial NDM-1 using CDC-1 as substrate incubated for 30 mins 35152091
Unchecked IC50 = 6000.0 nM 5.22 Inhibition of bacterial VIM-27 using CDC-1 as substrate incubated for 30 mins 35152091
Unchecked IC50 = 6600.0 nM 5.18 Inhibition of bacterial IMP-1 using CDC-1 as substrate incubated for 30 mins 35152091

Literature References

PubMed DOI Target Context # Activities
35152091 10.1016/j.ejmech.2022.114174 Unchecked 3

Data from ChEMBL 36 via Core Engine