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Compound Detail

CHEMBL326725

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

Basic Information

ChEMBL ID CHEMBL326725
Phase Preclinical
Structure Type MOL
InChI Key HFYOGNGOLJYRDM-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

433.6
MW (Da)
2.66
ALogP
5
HBA
2
HBD
104.8
PSA (Ų)
0.49
QED
0
Ro5 Violations
12
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H35N3O5
MW 433.55
Aromatic Rings 1
Heavy Atoms 31
NP-Likeness -0.50

Activity Summary

Ki 1 meas.

Literature References

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

Data from ChEMBL 36 via Core Engine