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Compound Detail

CHEMBL4528476

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CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(-c2ccccc2)cc1)NC(=O)[C@H](Cc1ccccc1)N=[N+]=[N-])C(=O)[C@@]1(C)CO1

Basic Information

ChEMBL ID CHEMBL4528476
Phase Preclinical
Structure Type MOL
InChI Key NBPMOFPYPKFAAE-IPLFIEEMSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

714.9
MW (Da)
5.92
ALogP
6
HBA
3
HBD
165.7
PSA (Ų)
0.05
QED
2
Ro5 Violations
18
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C42H46N6O5
MW 714.87
Aromatic Rings 4
Heavy Atoms 53
NP-Likeness 0.23

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