Compound Detail

CHEMBL289824

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NC(CCc1ccccc1)[PH](=O)O

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL289824
Phase	Preclinical
Structure Type	MOL
InChI Key	BFYOJKDRJIERJF-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

199.2

MW (Da)

1.37

ALogP

HBA

HBD

63.3

PSA (Å²)

0.72

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

Ki 5 meas. best 9.8

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Aminopeptidase N CHEMBL1907	Ki	9.8	9.8	0.2	1
Unchecked CHEMBL612545	Ki	8.95	8.95	1.1	1
Aminopeptidase N CHEMBL2590	Ki	8.91	7.9	1.2	2
Cytosol aminopeptidase CHEMBL5624	Ki	8.11	8.11	7.7	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Aminopeptidase N	Ki	=	0.16	nM	9.8	Inhibition of human recombinant alanyl aminopeptidase after 30 to 60 mins by mor...	25192493
Unchecked	Ki	=	1.12	nM	8.95	Inhibition of Neisseria meningitidis recombinant alanyl aminopeptidase after 30 ...	25192493
Aminopeptidase N	Ki	=	1.22	nM	8.91	Inhibition of pig recombinant alanyl aminopeptidase after 30 to 60 mins by morri...	25192493
Cytosol aminopeptidase	Ki	=	7.69	nM	8.11	Inhibition of pig recombinant leucine aminopeptidase after 30 to 60 mins by morr...	25192493
Aminopeptidase N	Ki	=	130.0	nM	6.89	Inhibition of pig kidney Aminopeptidase N	10386926

PubMed	DOI	Target Context	# Activities
25192493	10.1021/jm501071f	Aminopeptidase N	2
10386926	10.1016/s0960-894x(99)00236-x	Aminopeptidase N	1
25192493	10.1021/jm501071f	Unchecked	1
25192493	10.1021/jm501071f	Cytosol aminopeptidase	1

Data from ChEMBL 36 via Core Engine