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Compound Detail

CHEMBL145916

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COP(=O)(O)CNC(Cc1ccc(-c2ccccc2)cc1)C(=O)NCCC(=O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL145916
Phase Preclinical
Structure Type MOL
InChI Key PVAQADGBXUBZBJ-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

420.4
MW (Da)
2.23
ALogP
5
HBA
4
HBD
125.0
PSA (Ų)
0.41
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 C20H25N2O6P
MW 420.40
Aromatic Rings 2
Heavy Atoms 29
NP-Likeness -0.11

Activity Summary

IC50 1 meas. best 6.52

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Neprilysin
CHEMBL3369
 IC50 6.52 6.52 301.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Neprilysin IC50 = 301.0 nM 6.52 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