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Compound Detail

CHEMBL117677

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

Basic Information

ChEMBL ID CHEMBL117677
Phase Preclinical
Structure Type MOL
InChI Key ACPWFDGJDXJZAZ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

629.9
MW (Da)
8.17
ALogP
5
HBA
3
HBD
113.6
PSA (Ų)
0.07
QED
2
Ro5 Violations
27
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C37H63N3O5
MW 629.93
Aromatic Rings 1
Heavy Atoms 45
NP-Likeness -0.16

Literature References

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

Data from ChEMBL 36 via Core Engine