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Compound Detail

CHEMBL459763

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CC(=O)NC(CSC(=[Se])NCCCCc1ccccc1)C(=O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL459763
Phase Preclinical
Structure Type MOL
InChI Key MEWCCSXTUBKJOM-UHFFFAOYSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

401.4
MW (Da)

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H22N2O3SSe
MW 401.39

Activity Summary

IC50 2 meas. best 5.0

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
UACC-903
CHEMBL612446
 IC50 5.0 4.885 10000.0 2

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
UACC-903 IC50 = 10000.0 nM 5.0 Cytotoxicity against human UACC-903 cells assessed as decrease in cell viability... 19053750
UACC-903 IC50 = 17000.0 nM 4.77 Cytotoxicity against human UACC-903 cells after 72 hrs by MTS assay 19053750

Literature References

PubMed DOI Target Context # Activities
19053750 10.1021/jm800993r UACC-903 2

Data from ChEMBL 36 via Core Engine