Skip to main content
Free research Free research Free compound review with research home and workspace preview
Quick search ChEMBL 36
Compound Detail

CHEMBL163185

Enter ChEMBL ID:
Free Research Context This compound will appear in recent viewed items on the research home for this browser.
Research home View demo workspace
CCCC[C@H](NC(=O)OCC(C)(C)C)C(=O)C(=O)N[C@H](C)c1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL163185
Phase Preclinical
Structure Type MOL
InChI Key YLWXDDOAYCMENH-WBVHZDCISA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

376.5
MW (Da)
3.76
ALogP
4
HBA
2
HBD
84.5
PSA (Ų)
0.64
QED
0
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H32N2O4
MW 376.50
Aromatic Rings 1
Heavy Atoms 27
NP-Likeness -0.60

Activity Summary

IC50 2 meas. best 7.47

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Cathepsin K
CHEMBL268
 IC50 7.47 7.47 33.9 2

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Cathepsin K IC50 = 34.0 nM 7.47 Inhibitory activity against human cathepsin K 14741275
Cathepsin K IC50 = 33.88 nM 7.47 Inhibition of human cathepsin K 19962796

Literature References

PubMed DOI Target Context # Activities
14741275 10.1016/j.bmcl.2003.11.029 Cathepsin K 1
19962796 10.1016/j.ejmech.2009.11.010 Cathepsin K 1

Data from ChEMBL 36 via Core Engine