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Compound Detail

CHEMBL165345

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CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)C(=O)N(C)[C@H](C)c1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL165345
Phase Preclinical
Structure Type MOL
InChI Key PEMFBGKEQIBRQV-WBVHZDCISA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

376.5
MW (Da)
3.86
ALogP
4
HBA
1
HBD
75.7
PSA (Ų)
0.70
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H32N2O4
MW 376.50
Aromatic Rings 1
Heavy Atoms 27
NP-Likeness -0.72

Literature References

PubMed DOI Target Context # Activities
14741275 10.1016/j.bmcl.2003.11.029 Cathepsin K 1

Data from ChEMBL 36 via Core Engine