Compound Detail

CHEMBL563494

Enter ChEMBL ID:

Free Research Context This compound will appear in recent viewed items on the research home for this browser.

COc1ccc(CC(=O)c2ccc(O)c(O)c2O)cc1OC

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL563494
Phase	Preclinical
Structure Type	MOL
InChI Key	ZINQWXFFXBTZOW-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

304.3

MW (Da)

2.25

ALogP

HBA

HBD

96.2

PSA (Å²)

0.58

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

IC50 8 meas. best 6.14

EC50 1 meas.

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
NON-PROTEIN TARGET CHEMBL3879801	IC50	6.14	4.8667	720.0	3
Radical scavenging activity CHEMBL613712	IC50	5.36	5.36	4340.0	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
NON-PROTEIN TARGET	IC50	=	720.0	nM	6.14	Antioxidant activity assessed as inhibition of FeCl2-induced lipid peroxidation ...	19481947
Radical scavenging activity	IC50	=	4340.0	nM	5.36	Antioxidant activity assessed as DPPH radical scavenging activity incubated at 4...	19481947
NON-PROTEIN TARGET	IC50	=	41580.0	nM	4.38	Antioxidant activity assessed as ABTS radical scavenging activity	19481947
NON-PROTEIN TARGET	IC50	=	82830.0	nM	4.08	Antioxidant activity assessed as superoxide anion radical scavenging activity by...	19481947

PubMed	DOI	Target Context	# Activities
19481947	10.1016/j.bmc.2009.05.019	NON-PROTEIN TARGET	5
19481947	10.1016/j.bmc.2009.05.019	Tyrosinase	3
19481947	10.1016/j.bmc.2009.05.019	No relevant target	1
19481947	10.1016/j.bmc.2009.05.019	Radical scavenging activity	1
20800321	10.1016/j.ejmech.2010.08.016	Radical scavenging activity	1
30245395	10.1016/j.ejmech.2018.09.002	Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform	1
30245395	10.1016/j.ejmech.2018.09.002	HCT-116	1
30245395	10.1016/j.ejmech.2018.09.002	MCF7	1

Data from ChEMBL 36 via Core Engine