Compound Detail
CHEMBL201178
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Basic Information
| ChEMBL ID | CHEMBL201178 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UKQULZSZDDFLST-LEWJYISDSA-N |
1
Targets
1
Activities
1
Assay Types
2
PK Parameters
5
Publications
0
Known Names
Molecular Properties
364.5
MW (Da)
4.99
ALogP
3
HBA
1
HBD
52.9
PSA (Ų)
0.60
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.59
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cathepsin K CHEMBL268 | IC50 | 8.59 | 8.59 | 2.6 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 35.0 | mL.min-1.kg-1 | Rattus norvegicus |
| T1/2 | 0.7333 | hr | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cathepsin K | IC50 | = | 2.6 | nM | 8.59 | Inhibitory activity against humanized rabbit Cathepsin K | 16451072 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16451072 | 10.1021/jm051059p | Rattus norvegicus | 2 |
| 16451072 | 10.1021/jm051059p | Cathepsin K | 1 |
| 16451072 | 10.1021/jm051059p | Cathepsin (L and K) | 1 |
| 16451072 | 10.1021/jm051059p | Cathepsin (B and K) | 1 |
| 16451072 | 10.1021/jm051059p | Cathepsin (S and K) | 1 |
Data from ChEMBL 36 via Core Engine