Compound Detail

CHEMBL563589

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COc1cc(O)c(C(=O)Cc2ccccc2)cc1O

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL563589
Phase	Preclinical
Structure Type	MOL
InChI Key	QIMBBNKHMCWAHF-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

258.3

MW (Da)

2.53

ALogP

HBA

HBD

66.8

PSA (Å²)

0.65

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

IC50 5 meas. best 5.21

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
NON-PROTEIN TARGET CHEMBL3879801	IC50	5.21	4.5	6200.0	4
Radical scavenging activity CHEMBL613712	IC50	4.69	4.69	20270.0	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
NON-PROTEIN TARGET	IC50	=	6200.0	nM	5.21	Antioxidant activity assessed as inhibition of FeCl2-induced lipid peroxidation ...	19481947
Radical scavenging activity	IC50	=	20270.0	nM	4.69	Antioxidant activity assessed as DPPH radical scavenging activity incubated at 4...	19481947
NON-PROTEIN TARGET	IC50	=	36010.0	nM	4.44	Antioxidant activity assessed as ABTS radical scavenging activity	19481947
NON-PROTEIN TARGET	IC50	=	54570.0	nM	4.26	Antioxidant activity assessed as superoxide anion radical scavenging activity by...	19481947
NON-PROTEIN TARGET	IC50	=	81160.0	nM	4.09	Antioxidant activity assessed as potassium ferric cyanide ion reducing power aft...	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	Radical scavenging activity	1
20800321	10.1016/j.ejmech.2010.08.016	Radical scavenging activity	1

Data from ChEMBL 36 via Core Engine