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Compound Detail

CHEMBL4175529

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O=C1CCCC2=C1C(c1ccc3ccccc3c1)NC(=[Se])N2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4175529
Phase Preclinical
Structure Type MOL
InChI Key CGQRVEWKYIWHFR-UHFFFAOYSA-N
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

355.3
MW (Da)

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H16N2OSe
MW 355.30

Activity Summary

IC50 3 meas. best 4.88

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
MCF7
CHEMBL387
 IC50 4.88 4.88 13100.0 1
Unchecked
CHEMBL612545
 IC50 4.65 4.65 22400.0 1
HeLa
CHEMBL399
 IC50 4.58 4.58 26200.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
MCF7 IC50 = 13100.0 nM 4.88 Cytotoxicity against human MCF7 cells assessed as decrease in cell viability aft... 29908443
Unchecked IC50 = 22400.0 nM 4.65 Cytotoxicity against mouse McCoy cells assessed as decrease in cell viability af... 29908443
HeLa IC50 = 26200.0 nM 4.58 Cytotoxicity against human HeLa cells assessed as decrease in cell viability aft... 29908443

Literature References

PubMed DOI Target Context # Activities
29908443 10.1016/j.ejmech.2018.06.026 Unchecked 3
29908443 10.1016/j.ejmech.2018.06.026 MCF7 1
29908443 10.1016/j.ejmech.2018.06.026 HeLa 1

Data from ChEMBL 36 via Core Engine