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Compound Detail

CHEMBL4522697

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COc1ccc(C[C@H](NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)CN2CCOCC2)C(=O)N[C@@H](CC(C)C)C(=O)[C@@]2(C)CO2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4522697
Phase Preclinical
Structure Type MOL
InChI Key MBSXFXRWARVFLI-ZZUYEWEESA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

672.8
MW (Da)
2.82
ALogP
8
HBA
3
HBD
138.6
PSA (Ų)
0.20
QED
1
Ro5 Violations
16
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C38H48N4O7
MW 672.82
Aromatic Rings 3
Heavy Atoms 49
NP-Likeness -0.25

Literature References

PubMed DOI Target Context # Activities
27438186 10.1021/acs.jmedchem.6b00705 Proteasome Macropain subunit MB1 4
27438186 10.1021/acs.jmedchem.6b00705 Unchecked 1

Data from ChEMBL 36 via Core Engine