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Compound Detail

CHEMBL4444547

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COCCOCOC[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 CHEMBL4444547
Phase Preclinical
Structure Type MOL
InChI Key PEQIEWZQJZGSDW-PJUNNCNDSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

824.0
MW (Da)
2.20
ALogP
11
HBA
4
HBD
186.2
PSA (Ų)
0.06
QED
2
Ro5 Violations
27
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C44H65N5O10
MW 824.03
Aromatic Rings 2
Heavy Atoms 59
NP-Likeness -0.25

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