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Compound Detail

CHEMBL277277

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

Basic Information

ChEMBL ID CHEMBL277277
Phase Preclinical
Structure Type BOTH
InChI Key OCUSUKPNXDAERP-NCQKMRCOSA-N
0
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

771.9
MW (Da)
-1.05
ALogP
11
HBA
11
HBD
295.5
PSA (Ų)
0.06
QED
3
Ro5 Violations
23
Rot. Bonds

Drug Information

Molecule Type Protein
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C38H57N7O10
MW 771.91
Aromatic Rings 2
Heavy Atoms 55
NP-Likeness 0.34

Activity Summary

Ki 2 meas.

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