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

CHEMBL85977

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)OC(C(C)C)C(C)C)C(=O)C(=O)NCc1cscn1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL85977
Phase Preclinical
Structure Type MOL
InChI Key RWSYXMXTNYGOSS-HNNXBMFYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

397.5
MW (Da)
3.29
ALogP
6
HBA
2
HBD
97.4
PSA (Ų)
0.56
QED
0
Ro5 Violations
11
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H31N3O4S
MW 397.54
Aromatic Rings 1
Heavy Atoms 27
NP-Likeness -0.74

Activity Summary

IC50 1 meas. best 4.89

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Cathepsin K
CHEMBL268
 IC50 4.89 4.89 13000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Cathepsin K IC50 = 13000.0 nM 4.89 Inhibitory concentration against recombinant human cathepsin K 15109647

Literature References

PubMed DOI Target Context # Activities
15109647 10.1016/j.bmcl.2004.02.085 Cathepsin K 1

Data from ChEMBL 36 via Core Engine