Compound Detail

CHEMBL367174

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CC(C)CC(S)CC(=O)NC(Cc1ccccc1)C(=O)NC(Cc1ccc(O)cc1)C(=O)O

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL367174
Phase	Preclinical
Structure Type	MOL
InChI Key	YEXFSKCFFQBJBR-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

472.6

MW (Da)

2.97

ALogP

HBA

HBD

115.7

PSA (Å²)

0.30

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

IC50 4 meas. best 7.3

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Neprilysin CHEMBL3768	IC50	7.3	7.3	50.0	1
Neprilysin CHEMBL6107	IC50	7.3	7.3	50.0	1
Angiotensin-converting enzyme CHEMBL1808	IC50	5.55	5.55	2800.0	2

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Neprilysin	IC50	=	50.0	nM	7.3	Inhibitory concentration was evaluated by Inhibiting 50% of Neutral endopeptidas...	8421293
Neprilysin	IC50	=	50.0	nM	7.3	Inhibition of pig kidney NEP by fluorimetry	19596577
Angiotensin-converting enzyme	IC50	=	2800.0	nM	5.55	Inhibitory concentration was evaluated by Inhibiting 50% of Angiotensin I conver...	8421293
Angiotensin-converting enzyme	IC50	=	2800.0	nM	5.55	Inhibition of human recombinant ACE by fluorimetry	19596577

PubMed	DOI	Target Context	# Activities
8421293	10.1021/jm00053a011	Neprilysin	1
8421293	10.1021/jm00053a011	Angiotensin-converting enzyme	1
19596577	10.1016/j.bmcl.2009.06.064	Angiotensin-converting enzyme	1
19596577	10.1016/j.bmcl.2009.06.064	Neprilysin	1
19596577	10.1016/j.bmcl.2009.06.064	Endothelin-converting enzyme 1	1

Data from ChEMBL 36 via Core Engine