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Compound Detail

CHEMBL190864

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C[C@H](C(=O)O[C@@H](C)CC1CCCCC1)N(C)C#N
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL190864
Phase Preclinical
Structure Type MOL
InChI Key NITPHAADQHSKKD-NWDGAFQWSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

252.4
MW (Da)
2.69
ALogP
4
HBA
0
HBD
53.3
PSA (Ų)
0.43
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C14H24N2O2
MW 252.36
Aromatic Rings 0
Heavy Atoms 18

Literature References

PubMed DOI Target Context # Activities
15896958 10.1016/j.bmcl.2005.04.032 Cathepsin K 1

Data from ChEMBL 36 via Core Engine