Compound Detail

CHEMBL425541

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Cc1ccc(C(=O)Oc2ccc(C(=O)c3ccccc3C)cc2C)cc1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL425541
Phase	Preclinical
Structure Type	MOL
InChI Key	VWAUJIOSZXJQCT-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

344.4

MW (Da)

5.06

ALogP

HBA

HBD

43.4

PSA (Å²)

0.38

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

IC50 4 meas. best 4.25

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Unchecked CHEMBL612545	IC50	4.25	4.25	56000.0	1
Basic phospholipase A2 1 CHEMBL3967	IC50	4.14	4.14	73000.0	1
Basic phospholipase A2 PLA-A CHEMBL5022	IC50	4.12	4.12	75000.0	1
Acidic phospholipase A2 EC-I CHEMBL4195	IC50	4.06	4.06	87000.0	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Unchecked	IC50	=	56000.0	nM	4.25	In vitro Inhibitory concentration against phospholipase A2 activity of synovial ...	15993585
Basic phospholipase A2 1	IC50	=	73000.0	nM	4.14	In vitro inhibitory concentration against phospholipase A2 of Naja melanoleuca v...	15993585
Basic phospholipase A2 PLA-A	IC50	=	75000.0	nM	4.12	In vitro inhibitory concentration against phospholipase A2 of Trimeresurus flavo...	15993585
Acidic phospholipase A2 EC-I	IC50	=	87000.0	nM	4.06	In vitro inhibitory concentration against phospholipase A2 of Echis carinatus ve...	15993585

PubMed	DOI	Target Context	# Activities
15993585	10.1016/j.bmcl.2005.06.012	Unchecked	5
15993585	10.1016/j.bmcl.2005.06.012	Mus musculus	4
15993585	10.1016/j.bmcl.2005.06.012	Basic phospholipase A2 1	1
15993585	10.1016/j.bmcl.2005.06.012	Acidic phospholipase A2 EC-I	1
15993585	10.1016/j.bmcl.2005.06.012	Basic phospholipase A2 PLA-A	1

Data from ChEMBL 36 via Core Engine