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Compound Detail

CHEMBL78482

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

Basic Information

ChEMBL ID CHEMBL78482
Phase Preclinical
Structure Type MOL
InChI Key FRDYHGMXWCWIGC-ZDEQEGDKSA-N
0
Targets
2
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

342.4
MW (Da)
-0.91
ALogP
5
HBA
4
HBD
138.8
PSA (Ų)
0.45
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 C16H30N4O4
MW 342.44
Aromatic Rings 0
Heavy Atoms 24
NP-Likeness -0.33

Activity Summary

IC50 2 meas.

Literature References

PubMed DOI Target Context # Activities
10395480 10.1021/jm9805642 Xaa-Pro aminopeptidase 2 3
10395480 10.1021/jm9805642 Unchecked 2
10395480 10.1021/jm9805642 Xaa-Pro aminopeptidase 1 1
10395480 10.1021/jm9805642 Xaa-Pro dipeptidase 1
10395480 10.1021/jm9805642 Cytosol aminopeptidase 1

Data from ChEMBL 36 via Core Engine