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Compound Detail

CHEMBL3221956

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

Basic Information

ChEMBL ID CHEMBL3221956
Phase Preclinical
Structure Type MOL
InChI Key JBCHSUHQGWKTER-DTWKUNHWSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

275.3
MW (Da)
-0.23
ALogP
5
HBA
3
HBD
112.9
PSA (Ų)
0.53
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 C12H21NO6
MW 275.30
Aromatic Rings 0
Heavy Atoms 19
NP-Likeness 0.35

Literature References

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

Data from ChEMBL 36 via Core Engine