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Compound Detail

CHEMBL4635132

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CC(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)[C@]1(C)CO1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4635132
Phase Preclinical
Structure Type MOL
InChI Key QWEBSYDRFXZQMF-LFYAFONDSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

514.6
MW (Da)
0.73
ALogP
6
HBA
3
HBD
137.2
PSA (Ų)
0.35
QED
1
Ro5 Violations
12
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C27H38N4O6
MW 514.62
Aromatic Rings 1
Heavy Atoms 37
NP-Likeness -0.19

Literature References

PubMed DOI Target Context # Activities
32189500 10.1021/acs.jmedchem.0c00416 Proteasome subunit beta type-9 1
32189500 10.1021/acs.jmedchem.0c00416 Proteasome component C5 1
32189500 10.1021/acs.jmedchem.0c00416 Proteasome subunit beta type-8 1
32189500 10.1021/acs.jmedchem.0c00416 Proteasome Macropain subunit MB1 1

Data from ChEMBL 36 via Core Engine