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Compound Detail

CHEMBL5596042

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O=C(NCC[Se][Se]CCNC(=O)/C(Cc1ccco1)=N/O)/C(Cc1ccco1)=N/O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5596042
Phase Preclinical
Structure Type MOL
InChI Key ZDACVUNEHYKFCF-YHARCJFQSA-N
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

548.3
MW (Da)

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H22N4O6Se2
MW 548.32

Activity Summary

IC50 3 meas. best 6.52

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
NCI-H1581
CHEMBL1075516
 IC50 6.52 6.52 300.0 1
HCT-116
CHEMBL394
 IC50 6.39 6.39 410.0 1
EBC-1
CHEMBL4296411
 IC50 6.35 6.35 450.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
NCI-H1581 IC50 = 300.0 nM 6.52 Antiproliferative activity against human NCI-H1581 cells incubated for 48 hrs by... 38851056
HCT-116 IC50 = 410.0 nM 6.39 Antiproliferative activity against human HCT-116 cells incubated for 48 hrs by M... 38851056
EBC-1 IC50 = 450.0 nM 6.35 Antiproliferative activity against human EBC-1 cells incubated for 48 hrs by MTT... 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