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Compound Detail

CHEMBL117446

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CCCCN(CCCC)C(=O)C(=O)C(CC)NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL117446
Phase Preclinical
Structure Type MOL
InChI Key SYIKFXHBNVKPBF-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

489.7
MW (Da)
4.22
ALogP
5
HBA
2
HBD
104.8
PSA (Ų)
0.34
QED
0
Ro5 Violations
16
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C27H43N3O5
MW 489.66
Aromatic Rings 1
Heavy Atoms 35
NP-Likeness -0.44

Literature References

PubMed DOI Target Context # Activities
8230139 10.1021/jm00074a031 Calpain 1 1

Data from ChEMBL 36 via Core Engine