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

CHEMBL481778

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
COC(=O)/C=C/C(C(=O)/C=C/c1ccc(OC)c(OC)c1)C(=O)/C=C/c1ccc(OC)c(OC)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL481778
Phase Preclinical
Structure Type MOL
InChI Key OJYPQPGEMZHATA-SSTPNIJNSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

480.5
MW (Da)
3.93
ALogP
8
HBA
0
HBD
97.4
PSA (Ų)
0.26
QED
0
Ro5 Violations
12
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C27H28O8
MW 480.51
Aromatic Rings 2
Heavy Atoms 35
NP-Likeness 0.29

Activity Summary

IC50 2 meas. best 6.29

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
MCF7
CHEMBL387
 IC50 6.29 6.29 512.0 1
SK-BR-3
CHEMBL613834
 IC50 6.25 6.25 564.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
MCF7 IC50 = 512.0 nM 6.29 Antiproliferative activity against human MCF7 cells after 72 hrs by MTS-PMS assa... 19019687
SK-BR-3 IC50 = 564.0 nM 6.25 Antiproliferative activity against human SKBR3 cells after 72 hrs by MTS-PMS ass... 19019687

Literature References

PubMed DOI Target Context # Activities
19019687 10.1016/j.bmc.2008.10.057 MCF7 1
19019687 10.1016/j.bmc.2008.10.057 SK-BR-3 1

Data from ChEMBL 36 via Core Engine