Compound Detail

CHEMBL124359

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O=C(COc1ccc(C(=O)O)cc1)COc1ccc(C(=O)OCCCCCc2ccccc2)cc1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL124359
Phase	Preclinical
Structure Type	MOL
InChI Key	OROHSRCUYQTVBD-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

476.5

MW (Da)

4.98

ALogP

HBA

HBD

99.1

PSA (Å²)

0.26

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

IC50 3 meas. best 7.3

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Unchecked CHEMBL612545	IC50	7.3	7.3	50.0	2
HL-60 CHEMBL383	IC50	5.89	5.89	1300.0	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Unchecked	IC50	=	50.0	nM	7.3	In vitro inhibition of human recombinant cytosolic phospholipase A2 (c-PLA2).	15203135
Unchecked	IC50	=	50.0	nM	7.3	Inhibition of cPLA2alpha	22192589
HL-60	IC50	=	1300.0	nM	5.89	Inhibition of [3H]Arachidonic acid production by stimulated HL60 (human leukemia...	15203135

PubMed	DOI	Target Context	# Activities
15203135	10.1016/j.bmcl.2004.05.024	Unchecked	1
15203135	10.1016/j.bmcl.2004.05.024	HL-60	1
15203135	10.1016/j.bmcl.2004.05.024	No relevant target	1
22192589	10.1016/j.bmcl.2011.11.093	Unchecked	1

Data from ChEMBL 36 via Core Engine