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Compound Detail

CHEMBL183658

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CC(C)C[C@H](NC(=O)OCC1CCCCC1)C(=O)NC1CCN(C#N)C1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL183658
Phase Preclinical
Structure Type MOL
InChI Key OKLPVFARCIJZFH-DJNXLDHESA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

364.5
MW (Da)
2.38
ALogP
5
HBA
2
HBD
94.5
PSA (Ų)
0.68
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H32N4O3
MW 364.49
Aromatic Rings 0
Heavy Atoms 26
NP-Likeness -0.73

Activity Summary

IC50 1 meas. best 7.72

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Cathepsin K
CHEMBL268
 IC50 7.72 7.72 19.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Cathepsin K IC50 = 19.0 nM 7.72 Inhibitory concentration against human cathepsin K using 10 uM Cbz-Phe-Arg-AMC 15780613

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