Compound Detail

CHEMBL594247

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O=c1cc(/C=C/c2ccc(O)c(O)c2)oc2c(O)c(O)ccc12

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL594247
Phase	Preclinical
Structure Type	MOL
InChI Key	LDSOJIJFWQGRNE-HNQUOIGGSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

312.3

MW (Da)

2.79

ALogP

HBA

HBD

111.1

PSA (Å²)

0.54

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

IC50 7 meas. best 6.71

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
No relevant target CHEMBL2362975	IC50	6.71	6.71	193.0	1
NON-PROTEIN TARGET CHEMBL3879801	IC50	6.07	5.224	850.0	5

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
No relevant target	IC50	=	193.0	nM	6.71	Antioxidant activity assessed as nitric oxide scavenging activity by fluorescent...	19781949
NON-PROTEIN TARGET	IC50	=	850.0	nM	6.07	Antioxidant activity assessed as peroxynitrite scavenging activity in absence of...	19781949
NON-PROTEIN TARGET	IC50	=	1590.0	nM	5.8	Antioxidant activity assessed as peroxynitrite scavenging activity in presence o...	19781949
NON-PROTEIN TARGET	IC50	=	4690.0	nM	5.33	Antioxidant activity assessed as singlet oxygen scavenging activity by fluoresce...	19781949
NON-PROTEIN TARGET	IC50	=	17800.0	nM	4.75	Antioxidant activity assessed as superoxide radical scavenging activity by NBT d...	19781949
NON-PROTEIN TARGET	IC50	=	67200.0	nM	4.17	Antioxidant activity assessed as hypochlorous acid scavenging activity by fluore...	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