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Compound Detail

CHEMBL5426465

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CC(C)C[C@@H](N)[C@H](O)C(=O)N1CCC[C@H]1C(=O)OC(C)(C)C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5426465
Phase Preclinical
Structure Type MOL
InChI Key DQECEIAIQPPJBS-AGIUHOORSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

314.4
MW (Da)
1.05
ALogP
5
HBA
2
HBD
92.9
PSA (Ų)
0.74
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H30N2O4
MW 314.43
Aromatic Rings 0
Heavy Atoms 22
NP-Likeness -0.01

Literature References

PubMed DOI Target Context # Activities
36724486 10.1021/acs.jmedchem.2c01535 ADMET 2
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