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Compound Detail

CHEMBL4586866

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

Basic Information

ChEMBL ID CHEMBL4586866
Phase Preclinical
Structure Type MOL
InChI Key ITRQYUFRZMXDMA-DXSRSINFSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

606.7
MW (Da)
3.19
ALogP
7
HBA
3
HBD
174.9
PSA (Ų)
0.12
QED
1
Ro5 Violations
15
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C32H42N6O6
MW 606.72
Aromatic Rings 2
Heavy Atoms 44
NP-Likeness 0.36

Literature References

PubMed DOI Target Context # Activities
27438186 10.1021/acs.jmedchem.6b00705 Proteasome Macropain subunit MB1 2
27438186 10.1021/acs.jmedchem.6b00705 Unchecked 1

Data from ChEMBL 36 via Core Engine