Compound Detail

CHEMBL36094

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

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL36094
Phase	Preclinical
Structure Type	MOL
InChI Key	UKHIXBAHBRUVMS-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

308.3

MW (Da)

0.72

ALogP

HBA

HBD

115.7

PSA (Å²)

0.42

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

IC50 6 meas. best 9.05

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Unchecked CHEMBL612545	IC50	9.05	8.525	0.9	2
Neprilysin CHEMBL3768	IC50	8.77	8.735	1.7	2
Aminopeptidase N CHEMBL2590	IC50	6.46	6.405	350.0	2

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Unchecked	IC50	=	0.9	nM	9.05	Inhibition of dipeptidyl amino peptidase activity in rat brain with 10 nM [3H]Le...	2738884
Neprilysin	IC50	=	1.7	nM	8.77	Inhibition of neutral endopeptidase activity in rabbit kidney with 20 nM [3H]D-A...	2738884
Neprilysin	IC50	=	2.0	nM	8.7	Inhibition of neutral endopeptidase activity in rabbit kidney with 20 nM [3H]D-A...	2738884
Unchecked	IC50	=	10.0	nM	8.0	Inhibition of dipeptidyl amino peptidase activity in rat brain with 10 nM [3H]Le...	2738884
Aminopeptidase N	IC50	=	350.0	nM	6.46	Inhibition of Aminopeptidase N activity in pig kidney with 10 nM [3H]Leu-enkepha...	2738884
Aminopeptidase N	IC50	=	445.0	nM	6.35	Inhibition of Aminopeptidase N activity in pig kidney with 10 nM [3H]Leu-enkepha...	2738884

PubMed	DOI	Target Context	# Activities
2738884	10.1021/jm00127a017	Neprilysin	2
2738884	10.1021/jm00127a017	Aminopeptidase N	2
2738884	10.1021/jm00127a017	Unchecked	2
2738884	10.1021/jm00127a017	Mus musculus	2

Data from ChEMBL 36 via Core Engine