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Compound Detail

CHEMBL159869

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

Basic Information

ChEMBL ID CHEMBL159869
Phase Preclinical
Structure Type MOL
InChI Key BETXPWDEENHWAI-NSHDSACASA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

314.4
MW (Da)
2.55
ALogP
4
HBA
2
HBD
84.5
PSA (Ų)
0.74
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H30N2O4
MW 314.43
Aromatic Rings 0
Heavy Atoms 22
NP-Likeness -0.48

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