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Compound Detail

CHEMBL145937

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

Basic Information

ChEMBL ID CHEMBL145937
Phase Preclinical
Structure Type MOL
InChI Key XUSIYPQRLSSLNV-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

420.4
MW (Da)
1.97
ALogP
4
HBA
5
HBD
136.0
PSA (Ų)
0.28
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 -0.12

Activity Summary

IC50 1 meas. best 7.96

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Neprilysin
CHEMBL3369
 IC50 7.96 7.96 11.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Neprilysin IC50 = 11.0 nM 7.96 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