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

CHEMBL4854944

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
COc1ccc(-c2cc3cncc(-c4cc(OC)c(OC)c([Se]C)c4)n3n2)cc1[N+](=O)[O-]
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4854944
Phase Preclinical
Structure Type MOL
InChI Key GFXPVSVAEIBRCF-UHFFFAOYSA-N
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

499.4
MW (Da)

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H20N4O5Se
MW 499.39

Activity Summary

IC50 3 meas. best 5.21

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
MCF7
CHEMBL387
 IC50 5.21 5.21 6194.0 1
HeLa
CHEMBL399
 IC50 5.1 5.1 7952.0 1
B16-F10
CHEMBL612656
 IC50 5.1 5.1 7952.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
MCF7 IC50 = 6194.0 nM 5.21 Antiproliferative activity against human MCF7 cells assessed as reduction in cel... 33788562
HeLa IC50 = 7952.0 nM 5.1 Antiproliferative activity against human HeLa cells assessed as reduction in cel... 33788562
B16-F10 IC50 = 7952.0 nM 5.1 Antiproliferative activity against mouse B16-F10 cells assessed as reduction in ... 33788562

Literature References

PubMed DOI Target Context # Activities
33788562 10.1021/acs.jmedchem.0c01837 MCF7 1
33788562 10.1021/acs.jmedchem.0c01837 A549 1
33788562 10.1021/acs.jmedchem.0c01837 HeLa 1
33788562 10.1021/acs.jmedchem.0c01837 B16-F10 1

Data from ChEMBL 36 via Core Engine