Compound Detail

CHEMBL555453

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O=C(Cc1ccc(O)cc1)c1cc(O)c(O)cc1O

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL555453
Phase	Preclinical
Structure Type	MOL
InChI Key	ZSNPXDOZFBJHSP-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

260.2

MW (Da)

1.93

ALogP

HBA

HBD

98.0

PSA (Å²)

0.38

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

IC50 5 meas. best 6.16

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Radical scavenging activity CHEMBL613712	IC50	6.16	6.16	690.0	1
NON-PROTEIN TARGET CHEMBL3879801	IC50	4.33	4.1925	46420.0	4

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Radical scavenging activity	IC50	=	690.0	nM	6.16	Antioxidant activity assessed as DPPH radical scavenging activity incubated at 4...	19481947
NON-PROTEIN TARGET	IC50	=	46420.0	nM	4.33	Antioxidant activity assessed as ABTS radical scavenging activity	19481947
NON-PROTEIN TARGET	IC50	=	58620.0	nM	4.23	Antioxidant activity assessed as superoxide anion radical scavenging activity by...	19481947
NON-PROTEIN TARGET	IC50	=	68540.0	nM	4.16	Antioxidant activity assessed as potassium ferric cyanide ion reducing power aft...	19481947
NON-PROTEIN TARGET	IC50	=	88380.0	nM	4.05	Antioxidant activity assessed as inhibition of FeCl2-induced lipid peroxidation ...	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	Unchecked	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

Data from ChEMBL 36 via Core Engine