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Compound Detail

CHEMBL5218704

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O=c1c2ccccc2c(=O)c2c1[se]c1c(=O)c3ccccc3c(=O)c12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5218704
Phase Preclinical
Structure Type MOL
InChI Key KWTPRHCAVLVSSX-UHFFFAOYSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

391.2
MW (Da)

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H8O4Se
MW 391.24

Activity Summary

IC50 2 meas. best 5.55

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
B16
CHEMBL381
 IC50 5.55 5.55 2830.0 1
HL-60
CHEMBL383
 IC50 5.54 5.54 2910.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
B16 IC50 = 2830.0 nM 5.55 Antiproliferative activity against mouse B16 cells assessed as inhibition of cel... 36126897
HL-60 IC50 = 2910.0 nM 5.54 Antiproliferative activity against human HL-60 cells assessed as inhibition of c... 36126897

Literature References

PubMed DOI Target Context # Activities
36126897 10.1016/j.bmcl.2022.128992 HL-60 7
36126897 10.1016/j.bmcl.2022.128992 B16 1

Data from ChEMBL 36 via Core Engine