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Compound Detail

CHEMBL2409555

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COc1ccc([Se][Se]c2ccc(OC)cc2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2409555
Phase Preclinical
Structure Type MOL
InChI Key RLDSFBXSHHFHGA-UHFFFAOYSA-N
4
Targets
9
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names

Molecular Properties

372.2
MW (Da)

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C14H14O2Se2
MW 372.18

Activity Summary

IC50 9 meas. best 5.77

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
 IC50 5.77 5.77 1700.0 1
PC-3
CHEMBL390
 IC50 5.7 5.7 1990.0 1
NON-PROTEIN TARGET
CHEMBL3879801
 IC50 4.92 4.66 12000.0 5
HT-29
CHEMBL384
 IC50 4.62 4.42 24000.0 2

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked IC50 = 1700.0 nM 5.77 Inhibition of bovine brain tubulin polymerization incubated for 15 mins prior to... 23810282
PC-3 IC50 = 1990.0 nM 5.7 Cytotoxicity against human PC3 cells after 48 hrs by sulforhodamine B assay 23810282
NON-PROTEIN TARGET IC50 = 12000.0 nM 4.92 Cytotoxicity against human HL60 cells after 48 hrs by MTT assay 24961641
NON-PROTEIN TARGET IC50 = 20690.0 nM 4.68 Cytotoxicity against human 786 cells after 48 hrs by sulforhodamine B assay 23810282
HT-29 IC50 = 24000.0 nM 4.62 Cytotoxicity against human HT-29 cells after 48 hrs by MTT assay 24961641
NON-PROTEIN TARGET IC50 = 26000.0 nM 4.58 Cytotoxicity against human OVCAR5 cells after 48 hrs by MTT assay 24961641
NON-PROTEIN TARGET IC50 = 27000.0 nM 4.57 Cytotoxicity against human PC3 cells after 48 hrs by MTT assay 24961641
NON-PROTEIN TARGET IC50 = 28000.0 nM 4.55 Cytotoxicity against human 786-O cells after 48 hrs by MTT assay 24961641
HT-29 IC50 = 59510.0 nM 4.22 Cytotoxicity against human HT-29 cells after 48 hrs by sulforhodamine B assay 23810282

Literature References

PubMed DOI Target Context # Activities
24961641 10.1016/j.bmcl.2014.05.075 NON-PROTEIN TARGET 4
23810282 10.1016/j.bmcl.2013.06.009 Unchecked 2
23810282 10.1016/j.bmcl.2013.06.009 MCF7 1
23810282 10.1016/j.bmcl.2013.06.009 HT-29 1
23810282 10.1016/j.bmcl.2013.06.009 NON-PROTEIN TARGET 1
23810282 10.1016/j.bmcl.2013.06.009 PC-3 1
24961641 10.1016/j.bmcl.2014.05.075 HT-29 1

Data from ChEMBL 36 via Core Engine