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Compound Detail

CHEMBL423937

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O=C(O)CCNC(=O)C(Cc1ccccc1)OP(=O)(O)CNC(=O)OCc1ccccc1

Basic Information

ChEMBL ID CHEMBL423937
Phase Preclinical
Structure Type MOL
InChI Key AILANHLKGGHWMP-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

464.4
MW (Da)
2.27
ALogP
6
HBA
4
HBD
151.3
PSA (Ų)
0.35
QED
0
Ro5 Violations
12
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H25N2O8P
MW 464.41
Aromatic Rings 2
Heavy Atoms 32
NP-Likeness -0.10

Literature References

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

Data from ChEMBL 36 via Core Engine