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Compound Detail

CHEMBL434529

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CC(C)(C)OC(=O)[C@@H]1CCCCN1C#N
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL434529
Phase Preclinical
Structure Type MOL
InChI Key UPBAEKKDUWSWCQ-VIFPVBQESA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

210.3
MW (Da)
1.66
ALogP
4
HBA
0
HBD
53.3
PSA (Ų)
0.49
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C11H18N2O2
MW 210.28
Aromatic Rings 0
Heavy Atoms 15
NP-Likeness -0.58

Literature References

PubMed DOI Target Context # Activities
15780613 10.1016/j.bmcl.2005.02.033 Cathepsin K 1

Data from ChEMBL 36 via Core Engine