Compound Detail
CHEMBL189842
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Basic Information
| ChEMBL ID | CHEMBL189842 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NITPHAADQHSKKD-RYUDHWBXSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
252.4
MW (Da)
2.69
ALogP
4
HBA
0
HBD
53.3
PSA (Ų)
0.43
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 5.64
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cathepsin K CHEMBL268 | Ki | 5.64 | 5.64 | 2300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cathepsin K | Ki | = | 2300.0 | nM | 5.64 | 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