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Compound Detail

CHEMBL5412812

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COC(=O)[C@@H]1C[C@H](O)CN1C(=O)[C@@H](O)[C@H](N)CC(C)C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5412812
Phase Preclinical
Structure Type MOL
InChI Key WVZNIWFDMKZXOX-VLEAKVRGSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

288.3
MW (Da)
-1.14
ALogP
6
HBA
3
HBD
113.1
PSA (Ų)
0.55
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C13H24N2O5
MW 288.34
Aromatic Rings 0
Heavy Atoms 20
NP-Likeness 0.47

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
36724486 10.1021/acs.jmedchem.2c01535 MV4-11 3
36724486 10.1021/acs.jmedchem.2c01535 Xaa-Pro dipeptidase 1
36724486 10.1021/acs.jmedchem.2c01535 Xaa-Pro aminopeptidase 1 1

Data from ChEMBL 36 via Core Engine