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Compound Detail

CHEMBL4529201

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COCOC[C@]1(C(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCc2ccccc2)NC(=O)CN2CCOCC2)CO1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4529201
Phase Preclinical
Structure Type MOL
InChI Key GOCJOJVLMKZQMO-KNMARDNUSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

780.0
MW (Da)
2.18
ALogP
10
HBA
4
HBD
176.9
PSA (Ų)
0.07
QED
1
Ro5 Violations
24
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C42H61N5O9
MW 779.98
Aromatic Rings 2
Heavy Atoms 56
NP-Likeness -0.18

Literature References

PubMed DOI Target Context # Activities
30964987 10.1021/acs.jmedchem.8b01943 Proteasome Macropain subunit MB1 1

Data from ChEMBL 36 via Core Engine