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Compound Detail

CHEMBL5596091

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O=C(NC1CC[Se]SC1)/C(Cc1ccc(Cl)s1)=N/O

Basic Information

ChEMBL ID CHEMBL5596091
Phase Preclinical
Structure Type MOL
InChI Key XXHDDEVXYFSAGY-NTEUORMPSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

383.8
MW (Da)

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C11H13ClN2O2S2Se
MW 383.78

Activity Summary

IC50 1 meas. best 5.96

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
NCI-H1581
CHEMBL1075516
IC50 5.96 5.96 1100.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
NCI-H1581 IC50 = 1100.0 nM 5.96 Antiproliferative activity against human NCI-H1581 cells incubated for 48 hrs by... 38851056

Literature References

PubMed DOI Target Context # Activities
38851056 10.1016/j.ejmech.2024.116541 HCT-116 1
38851056 10.1016/j.ejmech.2024.116541 EBC-1 1
38851056 10.1016/j.ejmech.2024.116541 NCI-H1581 1

Data from ChEMBL 36 via Core Engine