Compound Detail
CHEMBL218007
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Basic Information
| ChEMBL ID | CHEMBL218007 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HWNYTOPEHDSGOF-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
2
PK Parameters
6
Publications
0
Known Names
Molecular Properties
447.5
MW (Da)
3.05
ALogP
8
HBA
2
HBD
117.8
PSA (Ų)
0.49
QED
0
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 9.28
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Procathepsin L CHEMBL3837 | IC50 | 9.28 | 9.28 | 0.5 | 1 |
| Cathepsin S CHEMBL2954 | IC50 | 9.05 | 9.05 | 0.9 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 461.67 | mL.min-1.kg-1 | Rattus norvegicus |
| T1/2 | 0.8 | hr | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Procathepsin L | IC50 | = | 0.52 | nM | 9.28 | Inhibition of human recombinant cathepsin L | 17256925 |
| Cathepsin S | IC50 | = | 0.9 | nM | 9.05 | Inhibition of human recombinant cathepsin S | 17256925 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17256925 | 10.1021/jm0613525 | Rattus norvegicus | 2 |
| 17256925 | 10.1021/jm0613525 | Cathepsin K | 1 |
| 17256925 | 10.1021/jm0613525 | Procathepsin L | 1 |
| 17256925 | 10.1021/jm0613525 | Cathepsin S | 1 |
| 17256925 | 10.1021/jm0613525 | Cathepsin (L and K) | 1 |
| 17256925 | 10.1021/jm0613525 | Cathepsin (S and K) | 1 |
Data from ChEMBL 36 via Core Engine