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

CHEMBL326494

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](C=O)NC(=O)OC(C)(C)Cc1cccc(-c2ccsc2)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL326494
Phase Preclinical
Structure Type MOL
InChI Key AUQSSYRAIVVCDM-IBGZPJMESA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

373.5
MW (Da)
5.22
ALogP
4
HBA
1
HBD
55.4
PSA (Ų)
0.61
QED
1
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H27NO3S
MW 373.52
Aromatic Rings 2
Heavy Atoms 26
NP-Likeness -0.37

Activity Summary

IC50 1 meas. best 8.12

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Cathepsin K
CHEMBL268
 IC50 8.12 8.12 7.6 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Cathepsin K IC50 = 7.6 nM 8.12 Inhibitory concentration against recombinant human cathepsin K determined in a f... 15177446

Literature References

PubMed DOI Target Context # Activities
15177446 10.1016/j.bmcl.2004.04.084 Cathepsin K 1

Data from ChEMBL 36 via Core Engine