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

CHEMBL124392

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
COc1cc2c(c(OC)c1OC)C(=O)/C(=C/c1ccc(O)c(O)c1)O2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL124392
Phase Preclinical
Structure Type MOL
InChI Key KDAHPBGYDUMHRL-QPEQYQDCSA-N

Known Names

3',4',-Dihydroxy4,5,6-Trimethoxyaurone
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
6
Publications
1
Known Names

Molecular Properties

344.3
MW (Da)
2.74
ALogP
7
HBA
2
HBD
94.5
PSA (Ų)
0.65
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C18H16O7
MW 344.32
Aromatic Rings 2
Heavy Atoms 25
NP-Likeness 0.79

Activity Summary

IC50 1 meas. best 4.92

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
K562
CHEMBL385
 IC50 4.92 4.92 12000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
K562 IC50 = 12000.0 nM 4.92 Inhibitory activity against K562 human chronic myelogenous leukemia cell line us... 14552774

Literature References

PubMed DOI Target Context # Activities
14552774 10.1016/j.bmcl.2003.07.003 K562 4
9584399 10.1021/np9703609 Unchecked 2
14552774 10.1016/j.bmcl.2003.07.003 Tubulin alpha chain 1
9584399 10.1021/np9703609 NON-PROTEIN TARGET 1
30739824 10.1016/j.ejmech.2019.01.078 KB 1
30739824 10.1016/j.ejmech.2019.01.078 Tubulin 1

Data from ChEMBL 36 via Core Engine