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Compound Detail

CHEMBL425052

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CCCCCCCCCCCC(=O)N[C@H](C(=O)N[C@H](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)[C@@H](C)CC)[C@@H](C)O

Basic Information

ChEMBL ID CHEMBL425052
Phase Preclinical
Structure Type MOL
InChI Key BICYUGKNJLCYRW-ASSIIPIQSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

941.1
MW (Da)
2.37
ALogP
11
HBA
11
HBD
309.9
PSA (Ų)
0.05
QED
3
Ro5 Violations
32
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C48H72N6O13
MW 941.13
Aromatic Rings 2
Heavy Atoms 67
NP-Likeness 0.23

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