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Compound Detail

CHEMBL4160982

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O=C1NC(=[Se])NC(=O)C1=C/C=C/c1ccco1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4160982
Phase Preclinical
Structure Type MOL
InChI Key GQYQPTDJMBIDBU-HNQUOIGGSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

295.2
MW (Da)

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C11H8N2O3Se
MW 295.16

Activity Summary

IC50 2 meas. best 5.64

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
UACC-903
CHEMBL612446
 IC50 5.64 5.64 2300.0 1
CHL-1
CHEMBL1075422
 IC50 5.01 5.01 9700.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
UACC-903 IC50 = 2300.0 nM 5.64 Cytotoxicity against human UACC-903 cells assessed as cell viability at 25 uM af... 29133035
CHL-1 IC50 = 9700.0 nM 5.01 Antiproliferative activity against human CHL-1 cells harboring wild type BRAF af... 29133035

Literature References

PubMed DOI Target Context # Activities
29133035 10.1016/j.ejmech.2017.11.006 CHL-1 1
29133035 10.1016/j.ejmech.2017.11.006 UACC-903 1

Data from ChEMBL 36 via Core Engine