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Compound Detail

CHEMBL3218818

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Cc1ccc(CNC(=O)[C@H](CCc2ccccc2)NC(=O)[C@H](CNC(=O)CC(C)(C)C)NC(=O)c2cc(C)on2)cc1

Basic Information

ChEMBL ID CHEMBL3218818
Phase Preclinical
Structure Type MOL
InChI Key VZSRBQQJEDAXLA-BDYUSTAISA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

575.7
MW (Da)
3.38
ALogP
6
HBA
4
HBD
142.4
PSA (Ų)
0.25
QED
1
Ro5 Violations
13
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C32H41N5O5
MW 575.71
Aromatic Rings 3
Heavy Atoms 42
NP-Likeness -1.00

Literature References

PubMed DOI Target Context # Activities
- 10.1039/C2MD20060K Proteasome Macropain subunit MB1 2
- 10.1039/C2MD20060K Proteasome component C5 1
- 10.1039/C2MD20060K Proteasome Macropain subunit 1
- 10.1039/C2MD20060K Nuclear factor NF-kappa-B complex 1
- 10.1039/C2MD20060K NON-PROTEIN TARGET 1

Data from ChEMBL 36 via Core Engine