Compound Detail

CHEMBL311925

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C[C@H](NC(=O)[C@@H]1CCCN1C(CCc1ccccc1)C(=O)O)C(N)=O

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL311925
Phase	Preclinical
Structure Type	MOL
InChI Key	WNNJXDIQECNRGK-XRJCJLGXSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

347.4

MW (Da)

0.53

ALogP

HBA

HBD

112.7

PSA (Å²)

0.63

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

IC50 7 meas. best 5.68

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Unchecked CHEMBL612545	IC50	5.68	5.51	2100.0	2
Xaa-Pro aminopeptidase 2 CHEMBL4610	IC50	5.58	5.33	2600.0	2
Xaa-Pro aminopeptidase 2 CHEMBL2970	IC50	5.42	5.42	3800.0	1
Xaa-Pro aminopeptidase 1 CHEMBL3782	IC50	5.24	5.24	5700.0	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Unchecked	IC50	=	2100.0	nM	5.68	Inhibition against Aminopeptidase P from Escherichia coli.	10395480
Xaa-Pro aminopeptidase 2	IC50	=	2600.0	nM	5.58	Inhibition against membrane bound human aminopeptidase P	10395480
Xaa-Pro aminopeptidase 2	IC50	=	3800.0	nM	5.42	Activity against membrane bound rat aminopeptidase P	10395480
Unchecked	IC50	=	4600.0	nM	5.34	Inhibition against Aminopeptidase P from bovine.	10395480
Xaa-Pro aminopeptidase 1	IC50	=	5700.0	nM	5.24	Inhibition against Aminopeptidase P from human platelets.	10395480
Xaa-Pro aminopeptidase 2	IC50	=	8400.0	nM	5.08	Inhibition against membrane bound monkey aminopeptidase P	10395480

PubMed	DOI	Target Context	# Activities
10395480	10.1021/jm9805642	Xaa-Pro aminopeptidase 2	3
10395480	10.1021/jm9805642	Unchecked	2
10395480	10.1021/jm9805642	Xaa-Pro aminopeptidase 1	2
10395480	10.1021/jm9805642	Xaa-Pro dipeptidase	1
10395480	10.1021/jm9805642	Cytosol aminopeptidase	1

Data from ChEMBL 36 via Core Engine