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

CHEMBL273256

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
COc1cc(C(=O)/C=C/c2ccc3c(c2)OCCO3)cc(OC)c1OC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL273256
Phase Preclinical
Structure Type MOL
InChI Key NHOOUQQRCQXEAV-GQCTYLIASA-N
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

356.4
MW (Da)
3.38
ALogP
6
HBA
0
HBD
63.2
PSA (Ų)
0.58
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H20O6
MW 356.37
Aromatic Rings 2
Heavy Atoms 26
NP-Likeness 0.05

Activity Summary

IC50 3 meas. best 7.1

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
K562
CHEMBL385
 IC50 7.1 7.1 80.0 2
Unchecked
CHEMBL612545
 IC50 4.89 4.89 13000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
K562 IC50 = 80.0 nM 7.1 Compound was evaluated for cytotoxic activity against K562 human chronic myeloge... 9871706
K562 IC50 = 80.0 nM 7.1 Antiproliferative activity against human K562 cells after 5 days by MTT assay 19837593
Unchecked IC50 = 13000.0 nM 4.89 Inhibition of tubulin assembly by Woods method 19837593

Literature References

PubMed DOI Target Context # Activities
19837593 10.1016/j.bmc.2009.09.039 K562 4
19837593 10.1016/j.bmc.2009.09.039 Unchecked 3
9871706 10.1016/s0960-894x(98)00162-0 K562 1

Data from ChEMBL 36 via Core Engine