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

CHEMBL2268880

GALANGUSTIN
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(-c2cc(=O)c3c(O)cc(O)c(OC)c3o2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2268880
Name GALANGUSTIN
Phase Preclinical
Structure Type MOL
InChI Key MRQSJFKGZKPPNM-UHFFFAOYSA-N
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names

Molecular Properties

314.3
MW (Da)
2.89
ALogP
6
HBA
2
HBD
89.1
PSA (Ų)
0.77
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C17H14O6
MW 314.29
Aromatic Rings 3
Heavy Atoms 23
NP-Likeness 1.27

Activity Summary

IC50 3 meas. best 4.37

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
HepG2
CHEMBL395
 IC50 4.37 4.37 42400.0 3

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
HepG2 IC50 = 42400.0 nM 4.37 Cytotoxicity against human HepG2 cells assessed as reduction in cell viability a... 28117202
HepG2 IC50 = 42657.95 nM 4.37 Cytotoxicity against human HepG2 cells assessed as reduction in cell viability a... 28117202
HepG2 IC50 = 42400.0 nM 4.37 Antiproliferative activity against human HepG2 cells assessed as reduction in ce... 31238183

Literature References

PubMed DOI Target Context # Activities
- 10.1016/j.indcrop.2012.09.012 Rhopalosiphum padi 2
- 10.1016/j.indcrop.2012.09.012 Myzus persicae 2
28117202 10.1016/j.bmcl.2016.12.076 HepG2 2
28117202 10.1016/j.bmcl.2016.12.076 A549 1
28117202 10.1016/j.bmcl.2016.12.076 Unchecked 1
31238183 10.1016/j.ejmech.2019.06.024 CDK2/Cyclin A2 1
31238183 10.1016/j.ejmech.2019.06.024 CDK9/cyclin T1 1
31238183 10.1016/j.ejmech.2019.06.024 HepG2 1

Data from ChEMBL 36 via Core Engine