Skip to main content
Free research Free research Free compound review with research home and workspace preview
Quick search ChEMBL 36
Compound Detail

CHEMBL5433462

Enter ChEMBL ID:
Free Research Context This compound will appear in recent viewed items on the research home for this browser.
Research home View demo workspace
CCn1c2ccccc2c2cc(/C=C/c3[se]c4ccccc4[n+]3C)ccc21.[I-]
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5433462
Phase Preclinical
Structure Type MOL
InChI Key FYUQETJQTYCGTA-UHFFFAOYSA-M
Parent Compound CHEMBL5499823
Active Moiety CHEMBL5499823
5
Targets
8
Activities
2
Assay Types
0
PK Parameters
6
Publications
0
Known Names

Molecular Properties

416.4
MW (Da)

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H21IN2Se
MW 543.31

Activity Summary

IC50 4 meas. best 5.8
Kd 4 meas. best 6.4

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
quadruplex DNA
CHEMBL3832742
 Kd 6.4 5.4425 400.0 4
HepG2
CHEMBL395
 IC50 5.8 5.8 1600.0 1
HCT-116
CHEMBL394
 IC50 5.47 5.47 3400.0 1
L02
CHEMBL4296457
 IC50 4.56 4.56 27300.0 1
NCM460
CHEMBL4483264
 IC50 4.54 4.54 29200.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
quadruplex DNA Kd = 400.0 nM 6.4 Binding affinity to G-quadruplex DNA pu22 (unknown origin) by fluorescence spect... 37036951
HepG2 IC50 = 1600.0 nM 5.8 Cytotoxicity against human HepG2 cells assessed as reduction in cell viability i... 37036951
HCT-116 IC50 = 3400.0 nM 5.47 Cytotoxicity against human HCT-116 cells assessed as reduction in cell viability... 37036951
quadruplex DNA Kd = 6500.0 nM 5.19 Binding affinity to G-quadruplex DNA c-kit1 (unknown origin) by fluorescence spe... 37036951
quadruplex DNA Kd = 7600.0 nM 5.12 Binding affinity to G-quadruplex DNA VEGF (unknown origin) by fluorescence spect... 37036951
quadruplex DNA Kd = 8800.0 nM 5.06 Binding affinity to G-quadruplex DNA htg22 (unknown origin) by fluorescence spec... 37036951
L02 IC50 = 27300.0 nM 4.56 Cytotoxicity against human L02 cells assessed as reduction in cell viability inc... 37036951
NCM460 IC50 = 29200.0 nM 4.54 Cytotoxicity against human NCM460 cells assessed as reduction in cell viability ... 37036951

Literature References

PubMed DOI Target Context # Activities
37036951 10.1021/acs.jmedchem.2c01808 quadruplex DNA 8
37036951 10.1021/acs.jmedchem.2c01808 Unchecked 2
37036951 10.1021/acs.jmedchem.2c01808 HepG2 1
37036951 10.1021/acs.jmedchem.2c01808 HCT-116 1
37036951 10.1021/acs.jmedchem.2c01808 NCM460 1
37036951 10.1021/acs.jmedchem.2c01808 L02 1

Data from ChEMBL 36 via Core Engine