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Compound Detail

CHEMBL378002

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CC[C@H](C)[C@H](NC(=O)[C@@H](N)[C@@H](C)O)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL378002
Phase Preclinical
Structure Type BOTH
InChI Key VZDTVGJHYBYFAK-ADKGCRFHSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

758.8
MW (Da)
-1.70
ALogP
11
HBA
11
HBD
306.8
PSA (Ų)
0.07
QED
3
Ro5 Violations
21
Rot. Bonds

Drug Information

Molecule Type Protein
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C36H50N6O12
MW 758.83
Aromatic Rings 2
Heavy Atoms 54
NP-Likeness 0.32

Literature References

PubMed DOI Target Context # Activities
16630721 10.1016/j.bmcl.2006.03.033 Proteasome Macropain subunit PRE2 1
16630721 10.1016/j.bmcl.2006.03.033 Proteasome Macropain subunit 1
16630721 10.1016/j.bmcl.2006.03.033 Proteasome component C5 1

Data from ChEMBL 36 via Core Engine