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Compound Detail

CHEMBL277394

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CC(C)CC(NC(Cc1ccccc1)NP(=O)([O-])CNC(=O)CCc1ccccc1)C(=O)O.[Na+]
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL277394
Phase Preclinical
Structure Type MOL
InChI Key HABBPXDQFGOGSJ-UHFFFAOYSA-M
Parent Compound CHEMBL1206468
Active Moiety CHEMBL1206468
0
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

475.5
MW (Da)
3.13
ALogP
4
HBA
5
HBD
127.8
PSA (Ų)
0.21
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 C24H33N3NaO5P
MW 497.51
Aromatic Rings 2
Heavy Atoms 33
NP-Likeness 0.02

Activity Summary

Ki 2 meas.

Literature References

PubMed DOI Target Context # Activities
2993614 10.1021/jm00147a015 Neprilysin 1
2993614 10.1021/jm00147a015 Angiotensin-converting enzyme 2 1
2993614 10.1021/jm00147a015 Angiotensin-converting enzyme 1

Data from ChEMBL 36 via Core Engine