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Compound Detail

CHEMBL378865

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CCCCCCCC(=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](CCCCN)C(=O)N[C@@H](Cc1ccccc1)C(=O)O)[C@@H](C)O)C(C)C)[C@@H](C)O

Basic Information

ChEMBL ID CHEMBL378865
Phase Preclinical
Structure Type MOL
InChI Key GEBSEXCAFAETPS-BEVBOTRVSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

868.1
MW (Da)
1.37
ALogP
10
HBA
10
HBD
278.4
PSA (Ų)
0.05
QED
2
Ro5 Violations
29
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C45H69N7O10
MW 868.09
Aromatic Rings 2
Heavy Atoms 62
NP-Likeness 0.19

Literature References

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

Data from ChEMBL 36 via Core Engine