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Compound Detail

CHEMBL315669

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O=C(O)[C@H](Cc1ccc(-c2ccccc2)cc1)NC(=O)[C@H](Cc1c[nH]cn1)NCP(=O)(O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL315669
Phase Preclinical
Structure Type MOL
InChI Key LXMRJGDZPNJAFZ-PMACEKPBSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

472.4
MW (Da)
1.52
ALogP
5
HBA
6
HBD
164.6
PSA (Ų)
0.23
QED
1
Ro5 Violations
11
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H25N4O6P
MW 472.44
Aromatic Rings 3
Heavy Atoms 33
NP-Likeness -0.02

Literature References

PubMed DOI Target Context # Activities
- 10.1016/S0960-894X(01)80703-4 Neprilysin 1
- 10.1016/S0960-894X(01)80703-4 Angiotensin-converting enzyme 1

Data from ChEMBL 36 via Core Engine