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Compound Detail

CHEMBL329136

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O=C(O)[C@H](Cc1ccc(-c2ccccc2)cc1)NC(=O)[C@H](Cc1ccccc1O)NCP(=O)(O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL329136
Phase Preclinical
Structure Type MOL
InChI Key GISOOERDEXSUJU-VXKWHMMOSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

498.5
MW (Da)
2.51
ALogP
5
HBA
6
HBD
156.2
PSA (Ų)
0.22
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 C25H27N2O7P
MW 498.47
Aromatic Rings 3
Heavy Atoms 35
NP-Likeness 0.16

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