Compound Detail

CHEMBL593303

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COc1ccc2c(=O)cc(/C=C/c3ccc(O)c(O)c3)oc2c1OC

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL593303
Phase	Preclinical
Structure Type	MOL
InChI Key	KDDLEILPCASNFH-HWKANZROSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

340.3

MW (Da)

3.39

ALogP

HBA

HBD

89.1

PSA (Å²)

0.71

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

IC50 7 meas. best 6.43

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
No relevant target CHEMBL2362975	IC50	6.43	6.43	368.0	1
NON-PROTEIN TARGET CHEMBL3879801	IC50	6.03	5.412	930.0	5

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
No relevant target	IC50	=	368.0	nM	6.43	Antioxidant activity assessed as nitric oxide scavenging activity by fluorescent...	19781949
NON-PROTEIN TARGET	IC50	=	930.0	nM	6.03	Antioxidant activity assessed as peroxynitrite scavenging activity in presence o...	19781949
NON-PROTEIN TARGET	IC50	=	1210.0	nM	5.92	Antioxidant activity assessed as peroxynitrite scavenging activity in absence of...	19781949
NON-PROTEIN TARGET	IC50	=	4670.0	nM	5.33	Antioxidant activity assessed as hypochlorous acid scavenging activity by fluore...	19781949
NON-PROTEIN TARGET	IC50	=	7970.0	nM	5.1	Antioxidant activity assessed as singlet oxygen scavenging activity by fluoresce...	19781949
NON-PROTEIN TARGET	IC50	=	20800.0	nM	4.68	Antioxidant activity assessed as superoxide radical scavenging activity by NBT d...	19781949

PubMed	DOI	Target Context	# Activities
19781949	10.1016/j.bmc.2009.08.056	NON-PROTEIN TARGET	7
19781949	10.1016/j.bmc.2009.08.056	No relevant target	2
19781949	10.1016/j.bmc.2009.08.056	Unchecked	1

Data from ChEMBL 36 via Core Engine