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Compound Detail

CHEMBL359612

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CCCC[C@H](NC(=O)OC(CC)Cc1ccccc1)C(=O)c1nc(C(=O)OCC)cs1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL359612
Phase Preclinical
Structure Type MOL
InChI Key WEZOJXAQMUROHO-ZVAWYAOSSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

446.6
MW (Da)
4.81
ALogP
7
HBA
1
HBD
94.6
PSA (Ų)
0.37
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 C23H30N2O5S
MW 446.57
Aromatic Rings 2
Heavy Atoms 31
NP-Likeness -0.40

Literature References

PubMed DOI Target Context # Activities
15993587 10.1016/j.bmcl.2005.05.091 Cathepsin K 1

Data from ChEMBL 36 via Core Engine