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Compound Detail

CHEMBL342768

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CCOC(=O)CCNC(=O)C(Cc1ccc(-c2ccccc2)cc1)NCP(=O)(O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL342768
Phase Preclinical
Structure Type MOL
InChI Key WVIZSLNWTBWTFE-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

434.4
MW (Da)
2.06
ALogP
5
HBA
4
HBD
125.0
PSA (Ų)
0.32
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 C21H27N2O6P
MW 434.43
Aromatic Rings 2
Heavy Atoms 30
NP-Likeness -0.31

Activity Summary

IC50 1 meas. best 6.92

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Neprilysin
CHEMBL3369
 IC50 6.92 6.92 120.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Neprilysin IC50 = 120.0 nM 6.92 In vitro inhibition of Neutral endopeptidase (NEP) enzyme 8120868

Literature References

PubMed DOI Target Context # Activities
8120868 10.1021/jm00030a009 Neprilysin 1

Data from ChEMBL 36 via Core Engine