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Compound Detail

CHEMBL4852235

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COc1cc(-c2cncc3cc(-c4ccccc4)nn23)cc([Se]C)c1OC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4852235
Phase Preclinical
Structure Type MOL
InChI Key FDWTWTLMCUPOLH-UHFFFAOYSA-N
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

424.4
MW (Da)

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H19N3O2Se
MW 424.36

Activity Summary

IC50 3 meas. best 5.5

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
MCF7
CHEMBL387
 IC50 5.5 5.5 3161.0 1
HeLa
CHEMBL399
 IC50 5.15 5.15 7125.0 1
B16-F10
CHEMBL612656
 IC50 5.15 5.15 7125.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
MCF7 IC50 = 3161.0 nM 5.5 Antiproliferative activity against human MCF7 cells assessed as reduction in cel... 33788562
HeLa IC50 = 7125.0 nM 5.15 Antiproliferative activity against human HeLa cells assessed as reduction in cel... 33788562
B16-F10 IC50 = 7125.0 nM 5.15 Antiproliferative activity against mouse B16-F10 cells assessed as reduction in ... 33788562

Literature References

PubMed DOI Target Context # Activities
33788562 10.1021/acs.jmedchem.0c01837 MCF7 1
33788562 10.1021/acs.jmedchem.0c01837 A549 1
33788562 10.1021/acs.jmedchem.0c01837 HeLa 1
33788562 10.1021/acs.jmedchem.0c01837 B16-F10 1

Data from ChEMBL 36 via Core Engine