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Compound Detail

CHEMBL4545717

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CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)N1CCN(C(=O)c2cnccn2)CC1)C(=O)N[C@@H](CC(C)C)C(=O)[C@@]1(C)CO1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4545717
Phase Preclinical
Structure Type MOL
InChI Key KUZYAHHJTNWWOK-CBUCOWSNSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

649.8
MW (Da)
1.98
ALogP
8
HBA
3
HBD
166.2
PSA (Ų)
0.26
QED
1
Ro5 Violations
14
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C34H47N7O6
MW 649.79
Aromatic Rings 2
Heavy Atoms 47
NP-Likeness -0.46

Literature References

PubMed DOI Target Context # Activities
30639896 10.1016/j.ejmech.2018.12.064 20S proteasome 2

Data from ChEMBL 36 via Core Engine