Compound Detail

CHEMBL146746

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CC[C@@H](C)[C@H](NC(=O)[C@H](S)[C@H](N)CCS(=O)(=O)O)C(=O)N1CCC(C(=O)O)[C@H]1C(=O)O

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL146746
Phase	Preclinical
Structure Type	MOL
InChI Key	HUWSZNZAROKDRZ-RRLWZMAJSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

483.6

MW (Da)

-1.19

ALogP

HBA

HBD

204.4

PSA (Å²)

0.15

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

Ki 4 meas. best 9.06

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Glutamyl aminopeptidase CHEMBL3439	Ki	9.06	9.06	0.9	1
Neprilysin CHEMBL3768	Ki	6.66	6.66	219.0	1
Angiotensin-converting enzyme CHEMBL2625	Ki	6.59	6.59	259.0	1
Aminopeptidase N CHEMBL2590	Ki	4.79	4.79	16400.0	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Glutamyl aminopeptidase	Ki	=	0.873	nM	9.06	Binding affinity against recombinant Aminopeptidase A	10602705
Neprilysin	Ki	=	219.0	nM	6.66	Binding affinity against NEP from rabbit kidney(neutral endopeptidase)	10602705
Angiotensin-converting enzyme	Ki	=	259.0	nM	6.59	Binding affinity against Angiotensin I converting enzyme from rat testis	10602705
Aminopeptidase N	Ki	=	16400.0	nM	4.79	Binding affinity against aminopeptidase N from pig kidney	10602705

PubMed	DOI	Target Context	# Activities
10602705	10.1021/jm9903040	Glutamyl aminopeptidase	1
10602705	10.1021/jm9903040	Aminopeptidase N	1
10602705	10.1021/jm9903040	Neprilysin	1
10602705	10.1021/jm9903040	Angiotensin-converting enzyme	1

Data from ChEMBL 36 via Core Engine