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Compound Detail

CHEMBL329666

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O=C(O)[C@H](Cc1ccc(-c2ccccc2)cc1)NC(=O)C1(NCP(=O)(O)O)CCCC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL329666
Phase Preclinical
Structure Type MOL
InChI Key IKNOVKGMOHXNDO-IBGZPJMESA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

446.4
MW (Da)
2.50
ALogP
4
HBA
5
HBD
136.0
PSA (Ų)
0.37
QED
0
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H27N2O6P
MW 446.44
Aromatic Rings 2
Heavy Atoms 31
NP-Likeness -0.08

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