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Compound Detail

CHEMBL1834923

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N#C[Se]CCCN1C(=O)C(=O)c2cc(Br)cc(Br)c21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1834923
Phase Preclinical
Structure Type MOL
InChI Key QJFGCMHYZLOUHC-UHFFFAOYSA-N
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

451.0
MW (Da)

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C12H8Br2N2O2Se
MW 450.98

Activity Summary

IC50 4 meas. best 5.78

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
MCF7
CHEMBL387
 IC50 5.78 5.78 1650.0 1
HT-29
CHEMBL384
 IC50 5.5 5.5 3180.0 1
A549
CHEMBL392
 IC50 5.46 5.46 3460.0 1
UACC-903
CHEMBL612446
 IC50 4.67 4.67 21640.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
MCF7 IC50 = 1650.0 nM 5.78 Cytotoxicity against human MCF7 cells after 48 hrs by MTS assay 21920762
HT-29 IC50 = 3180.0 nM 5.5 Cytotoxicity against human HT-29 cells after 48 hrs by MTS assay 21920762
A549 IC50 = 3460.0 nM 5.46 Cytotoxicity against human A549 cells after 48 hrs by MTS assay 21920762
UACC-903 IC50 = 21640.0 nM 4.67 Cytotoxicity against human UACC903 cells after 48 hrs by MTS assay 21920762

Literature References

PubMed DOI Target Context # Activities
21920762 10.1016/j.bmc.2011.08.044 HT-29 19
21920762 10.1016/j.bmc.2011.08.044 Unchecked 1
21920762 10.1016/j.bmc.2011.08.044 MCF7 1
21920762 10.1016/j.bmc.2011.08.044 A549 1
21920762 10.1016/j.bmc.2011.08.044 UACC-903 1

Data from ChEMBL 36 via Core Engine