Compound Detail

CHEMBL37418

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O=C(CC(Cc1ccccc1)C(=O)NC(Cc1ccccc1)C(=O)O)NO

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL37418
Phase	Preclinical
Structure Type	MOL
InChI Key	CFSPUGCLPSUAHO-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

370.4

MW (Da)

1.55

ALogP

HBA

HBD

115.7

PSA (Å²)

0.39

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

IC50 6 meas. best 8.6

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Neprilysin CHEMBL3768	IC50	8.6	8.6	2.5	2
Unchecked CHEMBL612545	IC50	8.6	8.03	2.5	3
Aminopeptidase N CHEMBL2590	IC50	6.89	6.89	130.0	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Neprilysin	IC50	=	2.5	nM	8.6	Inhibition of [3H]Ala2-Leu-enkephalin binding to Neutral endopeptidase (NEP)	2900898
Unchecked	IC50	=	2.5	nM	8.6	Inhibition of [3H]Leu-enkephalin binding to Dipeptidyl aminopeptidase (DAP)	2900898
Neprilysin	IC50	=	2.5	nM	8.6	Inhibition of neutral endopeptidase activity in rabbit kidney with 20 nM [3H]D-A...	2738884
Unchecked	IC50	=	2.5	nM	8.6	Inhibition of dipeptidyl amino peptidase activity in rat brain with 10 nM [3H]Le...	2738884
Unchecked	IC50	=	130.0	nM	6.89	Inhibition of [3H]Leu-enkephalin binding to aminopeptidase	2900898
Aminopeptidase N	IC50	=	130.0	nM	6.89	Inhibition of Aminopeptidase N activity in pig kidney with 10 nM [3H]Leu-enkepha...	2738884

PubMed	DOI	Target Context	# Activities
2900898	10.1021/jm00117a025	Unchecked	2
2900898	10.1021/jm00117a025	Neprilysin	1
2738884	10.1021/jm00127a017	Neprilysin	1
2738884	10.1021/jm00127a017	Aminopeptidase N	1
2738884	10.1021/jm00127a017	Unchecked	1

Data from ChEMBL 36 via Core Engine