Compound Detail

CHEMBL395753

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O=C(Cc1ccc(O)cc1)c1c(O)cc(O)cc1O

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL395753
Phase	Preclinical
Structure Type	MOL
InChI Key	XYMPPRJBUSAOQA-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

260.2

MW (Da)

1.93

ALogP

HBA

HBD

98.0

PSA (Å²)

0.63

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

IC50 6 meas. best 4.64

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Radical scavenging activity CHEMBL613712	IC50	4.64	4.64	22770.0	1
NON-PROTEIN TARGET CHEMBL3879801	IC50	4.56	4.495	27350.0	2

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Radical scavenging activity	IC50	=	22770.0	nM	4.64	Antioxidant activity assessed as DPPH radical scavenging activity incubated at 4...	19481947
NON-PROTEIN TARGET	IC50	=	27350.0	nM	4.56	Antioxidant activity assessed as ABTS radical scavenging activity	19481947
NON-PROTEIN TARGET	IC50	=	37420.0	nM	4.43	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	Tyrosinase	3
18625539	10.1016/j.ejmech.2008.06.001	Urease subunit alpha/Urease subunit beta	1
19481947	10.1016/j.bmc.2009.05.019	Radical scavenging activity	1
17624635	10.1016/j.ejmech.2007.05.013	Bacillus subtilis	1
17624635	10.1016/j.ejmech.2007.05.013	Escherichia coli	1
17624635	10.1016/j.ejmech.2007.05.013	Pseudomonas fluorescens	1
17624635	10.1016/j.ejmech.2007.05.013	Staphylococcus aureus	1
17624635	10.1016/j.ejmech.2007.05.013	Aspergillus niger	1
17624635	10.1016/j.ejmech.2007.05.013	Candida albicans	1
17624635	10.1016/j.ejmech.2007.05.013	Trichophyton rubrum	1

Data from ChEMBL 36 via Core Engine