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Compound Detail

CHEMBL3221961

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

Basic Information

ChEMBL ID CHEMBL3221961
Phase Preclinical
Structure Type MOL
InChI Key BZWNKXKLQMKWLF-YUMQZZPRSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

276.3
MW (Da)
-0.68
ALogP
5
HBA
4
HBD
125.0
PSA (Ų)
0.46
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C11H20N2O6
MW 276.29
Aromatic Rings 0
Heavy Atoms 19
NP-Likeness 0.06

Literature References

PubMed DOI Target Context # Activities
- 10.1039/C2MD00287F Neprilysin 1

Data from ChEMBL 36 via Core Engine