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Compound Detail

CHEMBL190544

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

Basic Information

ChEMBL ID CHEMBL190544
Phase Preclinical
Structure Type MOL
InChI Key PYDCJWGJEPYJRR-NSHDSACASA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

253.3
MW (Da)
2.79
ALogP
4
HBA
1
HBD
65.4
PSA (Ų)
0.46
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 C13H23N3O2
MW 253.35
Aromatic Rings 0
Heavy Atoms 18
NP-Likeness -0.18

Activity Summary

Ki 1 meas.

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