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Compound Detail

CHEMBL3122194

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CC(C)(C)C(=O)C[Se]C(=O)c1ccc(Cl)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3122194
Phase Preclinical
Structure Type MOL
InChI Key UNFRMGHXKQDGNL-UHFFFAOYSA-N
4
Targets
5
Activities
1
Assay Types
0
PK Parameters
13
Publications
0
Known Names

Molecular Properties

317.7
MW (Da)

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C13H15ClO2Se
MW 317.67

Activity Summary

IC50 5 meas. best 6.37

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
L5178Y
CHEMBL614720
 IC50 6.37 6.2 430.0 2
COLO 320
CHEMBL614257
 IC50 6.02 6.02 960.0 1
COLO 205
CHEMBL614561
 IC50 5.79 5.79 1630.0 1
MRC5
CHEMBL614181
 IC50 5.09 5.09 8100.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
L5178Y IC50 = 430.0 nM 6.37 Cytotoxicity against multi-drug resistant mouse L5178Y cells assessed as growth ... 27156771
L5178Y IC50 = 940.0 nM 6.03 Cytotoxicity against mouse L5178Y cells assessed as growth inhibition after 72 h... 27156771
COLO 320 IC50 = 960.0 nM 6.02 Cytotoxicity against multidrug resistant human COLO320 cells after 24 hrs by MTT... 28126516
COLO 205 IC50 = 1630.0 nM 5.79 Cytotoxicity against doxorubicin-sensitive human COLO205 cells after 24 hrs by M... 28126516
MRC5 IC50 = 8100.0 nM 5.09 Cytotoxicity against human MRC5 cells after 24 hrs by MTT assay 28126516

Literature References

PubMed DOI Target Context # Activities
27156771 10.1016/j.bmcl.2016.04.064 L5178Y 9
27156771 10.1016/j.bmcl.2016.04.064 ATP-dependent translocase ABCB1 5
28126516 10.1016/j.bmcl.2017.01.033 COLO 320 5
24389510 10.1016/j.ejmech.2013.11.034 HT-29 4
24389510 10.1016/j.ejmech.2013.11.034 A549 4
24389510 10.1016/j.ejmech.2013.11.034 MCF7 4
24389510 10.1016/j.ejmech.2013.11.034 PC-3 4
24389510 10.1016/j.ejmech.2013.11.034 ADMET 3
28126516 10.1016/j.bmcl.2017.01.033 ATP-dependent translocase ABCB1 3
28126516 10.1016/j.bmcl.2017.01.033 Unchecked 3
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