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Compound Detail

CHEMBL5424113

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CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](O)[C@H](N)CC(C)C)C(=O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5424113
Phase Preclinical
Structure Type MOL
InChI Key POQIASZVYGLIAT-QPSCCSFWSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

371.5
MW (Da)
0.33
ALogP
5
HBA
4
HBD
133.0
PSA (Ų)
0.46
QED
0
Ro5 Violations
9
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H33N3O5
MW 371.48
Aromatic Rings 0
Heavy Atoms 26
NP-Likeness -0.04

Literature References

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

Data from ChEMBL 36 via Core Engine