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Compound Detail

CHEMBL3917529

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CC(C)CCn1[se]c2ccccc2c1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3917529
Phase Preclinical
Structure Type MOL
InChI Key ZYUGLHJICYCQPO-UHFFFAOYSA-N
3
Targets
4
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

268.2
MW (Da)

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C12H15NOSe
MW 268.22

Activity Summary

IC50 4 meas. best 4.54

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
MCF7
CHEMBL387
 IC50 4.54 4.54 29000.0 1
NON-PROTEIN TARGET
CHEMBL3879801
 IC50 4.54 4.53 29000.0 2
DU-145
CHEMBL613508
 IC50 4.52 4.52 30390.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
NON-PROTEIN TARGET IC50 = 29000.0 nM 4.54 Cytotoxicity against human MCF7 cells assessed as reduction in cell viability me... 28029457
MCF7 IC50 = 29000.0 nM 4.54 Antitumor activity against human MCF7 cells assessed as cell growth inhibition 36858050
NON-PROTEIN TARGET IC50 = 30390.0 nM 4.52 Cytotoxicity against human DU145 cells assessed as reduction in cell viability m... 28029457
DU-145 IC50 = 30390.0 nM 4.52 Antitumor activity against human DU-145 cells assessed as cell growth inhibition 36858050

Literature References

PubMed DOI Target Context # Activities
28029457 10.1016/j.bmc.2016.10.018 No relevant target 5
28029457 10.1016/j.bmc.2016.10.018 NON-PROTEIN TARGET 3
28029457 10.1016/j.bmc.2016.10.018 Unchecked 1
36858050 10.1021/acs.jmedchem.2c01406 MCF7 1
36858050 10.1021/acs.jmedchem.2c01406 DU-145 1

Data from ChEMBL 36 via Core Engine