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Compound Detail

CHEMBL5171004

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C#Cc1nc2ccccc2[se]1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5171004
Phase Preclinical
Structure Type MOL
InChI Key NOHYEEBCCSLIIZ-UHFFFAOYSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

206.1
MW (Da)

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C9H5NSe
MW 206.11

Activity Summary

IC50 2 meas. best 5.66

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
NCI-H522
CHEMBL614387
 IC50 5.66 5.66 2170.0 1
HCT-116
CHEMBL394
 IC50 4.6 4.6 24960.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
NCI-H522 IC50 = 2170.0 nM 5.66 Cytotoxicity against human NCI-H522 cells assessed as reduction in cell viabilit... 35984756
HCT-116 IC50 = 24960.0 nM 4.6 Cytotoxicity against human HCT-116 cells assessed as reduction in cell viability... 35984756

Literature References

PubMed DOI Target Context # Activities
35984756 10.1021/acs.jmedchem.2c00909 NCI-H522 2
35984756 10.1021/acs.jmedchem.2c00909 HCT-116 1
35984756 10.1021/acs.jmedchem.2c00909 Unchecked 1

Data from ChEMBL 36 via Core Engine