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Compound Detail

CHEMBL1098935

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OCc1ccc(-c2nn(-c3ccccc3)c3cc[se]c23)o1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1098935
Phase Preclinical
Structure Type MOL
InChI Key DJLKWDSCUAJBBV-UHFFFAOYSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

343.2
MW (Da)

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H12N2O2Se
MW 343.24

Activity Summary

IC50 2 meas. best 5.66

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
ACHN
CHEMBL614519
 IC50 5.66 5.66 2200.0 1
NCI-H226
CHEMBL614740
 IC50 4.53 4.53 29500.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
ACHN IC50 = 2200.0 nM 5.66 Antitumor activity against human ACHN cells after 48 hrs by MTT assay 20097456
NCI-H226 IC50 = 29500.0 nM 4.53 Antitumor activity against human NCI-H226 cells after 48 hrs by MTT assay 20097456

Literature References

PubMed DOI Target Context # Activities
20097456 10.1016/j.ejmech.2009.12.039 NCI-H226 1
20097456 10.1016/j.ejmech.2009.12.039 ACHN 1

Data from ChEMBL 36 via Core Engine