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Compound Detail

CHEMBL1161399

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CC(C)CC(NC(=O)C(Cc1ccccc1)NCCC(=O)O)C(=O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1161399
Phase Preclinical
Structure Type MOL
InChI Key UVYVUYQSYUDFDH-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

350.4
MW (Da)
1.28
ALogP
4
HBA
4
HBD
115.7
PSA (Ų)
0.48
QED
0
Ro5 Violations
11
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H26N2O5
MW 350.42
Aromatic Rings 1
Heavy Atoms 25
NP-Likeness 0.04

Activity Summary

IC50 1 meas. best 4.96

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Neprilysin
CHEMBL2642
 IC50 4.96 4.96 11000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Neprilysin IC50 = 11000.0 nM 4.96 50% Inhibitory potency against enkephalinase from mouse striatum. 6298420

Literature References

PubMed DOI Target Context # Activities
6298420 10.1021/jm00355a013 Neprilysin 1
6298420 10.1021/jm00355a013 Angiotensin-converting enzyme 1

Data from ChEMBL 36 via Core Engine