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Compound Detail

CHEMBL3221964

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CC(C)C[C@H](CC(=O)N[C@@H](CO)C(=O)O)C(=O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3221964
Phase Preclinical
Structure Type MOL
InChI Key ZBKNPKITENESSB-SFYZADRCSA-N
0
Targets
0
Activities
0
Assay Types
1
PK Parameters
5
Publications
0
Known Names

Molecular Properties

261.3
MW (Da)
-0.31
ALogP
4
HBA
4
HBD
123.9
PSA (Ų)
0.47
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C11H19NO6
MW 261.27
Aromatic Rings 0
Heavy Atoms 18
NP-Likeness 0.40

Pharmacokinetic Data

Parameter Value Units Species
T1/2 24.0 hr Rattus norvegicus

Literature References

PubMed DOI Target Context # Activities
- 10.1039/C2MD00287F No relevant target 2
- 10.1039/C2MD00287F Neprilysin 1
- 10.1039/C2MD00287F Endothelin-converting enzyme 1 1
- 10.1039/C2MD00287F Angiotensin-converting enzyme 1
- 10.1039/C2MD00287F Plasma 1

Data from ChEMBL 36 via Core Engine