Compound Detail

CHEMBL322409

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CCCCCCCCCCCCCCCC(=O)N[C@@H](COP(=O)([O-])OCC[N+](C)(C)C)CC(C)C

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL322409
Phase	Preclinical
Structure Type	MOL
InChI Key	VRBRGHOCXOVDKR-AREMUKBSSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

520.7

MW (Da)

6.21

ALogP

HBA

HBD

87.7

PSA (Å²)

0.09

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

IC50 4 meas. best 6.64

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Phospholipase A2, major isoenzyme CHEMBL4715	IC50	6.64	5.58	230.0	2
Group VII phospholipase A2 CHEMBL3651	IC50	6.52	6.52	300.0	1
Group 10 secretory phospholipase A2 CHEMBL4342	IC50	4.52	4.52	30000.0	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Phospholipase A2, major isoenzyme	IC50	=	230.0	nM	6.64	In vitro inhibition of porcine pancreatic phospholipase A2 evaluated by monomeri...	1501221
Group VII phospholipase A2	IC50	=	300.0	nM	6.52	In vitro activity against porcine pancreatic phospholipase-A2 (PLA2) and monomer...	8126692
Phospholipase A2, major isoenzyme	IC50	=	30000.0	nM	4.52	In vitro inhibition of porcine pancreatic phospholipase A2 evaluated by Deoxycho...	1501221
Group 10 secretory phospholipase A2	IC50	=	30000.0	nM	4.52	In vitro activity against porcine pancreatic phospholipase-A2 (PLA2) and micella...	8126692

PubMed	DOI	Target Context	# Activities
1501221	10.1021/jm00094a003	Phospholipase A2, major isoenzyme	2
8126692	10.1021/jm00031a001	Group VII phospholipase A2	1
8126692	10.1021/jm00031a001	Group 10 secretory phospholipase A2	1

Data from ChEMBL 36 via Core Engine