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Compound Detail

CHEMBL150209

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

Basic Information

ChEMBL ID CHEMBL150209
Phase Preclinical
Structure Type MOL
InChI Key SUFFPAPPSXNKNZ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

462.5
MW (Da)
3.67
ALogP
6
HBA
3
HBD
114.0
PSA (Ų)
0.37
QED
0
Ro5 Violations
14
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H31N2O6P
MW 462.48
Aromatic Rings 2
Heavy Atoms 32
NP-Likeness -0.23

Literature References

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

Data from ChEMBL 36 via Core Engine