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Compound Detail

CHEMBL3122190

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O=C(C[Se]C(=O)c1ccccc1)Oc1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3122190
Phase Preclinical
Structure Type MOL
InChI Key VAMUIFHJMKALKK-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
10
Publications
0
Known Names

Molecular Properties

319.2
MW (Da)

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H12O3Se
MW 319.22

Activity Summary

IC50 1 meas. best 4.27

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
COLO 320
CHEMBL614257
 IC50 4.27 4.27 53700.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
COLO 320 IC50 = 53700.0 nM 4.27 Cytotoxicity against multidrug resistant human COLO320 cells after 24 hrs by MTT... 28126516

Literature References

PubMed DOI Target Context # Activities
27156771 10.1016/j.bmcl.2016.04.064 L5178Y 8
28126516 10.1016/j.bmcl.2017.01.033 COLO 320 5
27156771 10.1016/j.bmcl.2016.04.064 ATP-dependent translocase ABCB1 4
28126516 10.1016/j.bmcl.2017.01.033 ATP-dependent translocase ABCB1 4
24389510 10.1016/j.ejmech.2013.11.034 ADMET 3
24389510 10.1016/j.ejmech.2013.11.034 PC-3 3
28126516 10.1016/j.bmcl.2017.01.033 Unchecked 2
24389510 10.1016/j.ejmech.2013.11.034 Unchecked 1
28126516 10.1016/j.bmcl.2017.01.033 COLO 205 1
28126516 10.1016/j.bmcl.2017.01.033 MRC5 1

Data from ChEMBL 36 via Core Engine