Compound Detail
CHEMBL191367
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Basic Information
| ChEMBL ID | CHEMBL191367 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NYTKREBGCURGLG-JTQLQIEISA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
224.3
MW (Da)
2.60
ALogP
3
HBA
1
HBD
62.1
PSA (Ų)
0.75
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 5.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cathepsin K CHEMBL268 | Ki | 5.1 | 5.1 | 7900.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cathepsin K | Ki | = | 7900.0 | nM | 5.1 | Inhibition constant against human cathepsin K in fluorescence assay using Cbz-Ph... | 15896958 |
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