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

CHEMBL2402860

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
CCOC(=O)c1c(-c2c(Cl)c3ccccc3oc2=O)nn(-c2ccc(Br)cc2)c1C(=O)OCC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2402860
Phase Preclinical
Structure Type MOL
InChI Key OBDLNDINVCSTDT-UHFFFAOYSA-N
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

545.8
MW (Da)
5.42
ALogP
8
HBA
0
HBD
100.6
PSA (Ų)
0.24
QED
2
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H18BrClN2O6
MW 545.77
Aromatic Rings 4
Heavy Atoms 34
NP-Likeness -0.68

Activity Summary

IC50 3 meas. best 4.52

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
A549
CHEMBL392
 IC50 4.52 4.52 30000.0 1
DU-145
CHEMBL613508
 IC50 4.5 4.5 32000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
A549 IC50 = 30000.0 nM 4.52 Cytotoxicity against human A549 cells after 48 hrs by MTT assay 23748152
DU-145 IC50 = 32000.0 nM 4.5 Cytotoxicity against human DU145 cells after 48 hrs by MTT assay 23748152

Literature References

PubMed DOI Target Context # Activities
23748152 10.1016/j.ejmech.2013.03.042 HeLa 1
23748152 10.1016/j.ejmech.2013.03.042 A549 1
23748152 10.1016/j.ejmech.2013.03.042 DU-145 1

Data from ChEMBL 36 via Core Engine