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Compound Detail

CHEMBL4556673

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CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1cccc2ccccc12)NC(=O)[C@H](Cc1ccccc1)N=[N+]=[N-])C(=O)[C@@]1(C)CO1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4556673
Phase Preclinical
Structure Type MOL
InChI Key JMYRLLDWQJZCBL-MDAOHFTBSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

688.8
MW (Da)
5.41
ALogP
6
HBA
3
HBD
165.7
PSA (Ų)
0.06
QED
2
Ro5 Violations
17
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C40H44N6O5
MW 688.83
Aromatic Rings 4
Heavy Atoms 51
NP-Likeness 0.20

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