Compound Detail
CHEMBL301683
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Basic Information
| ChEMBL ID | CHEMBL301683 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JOOITSNPEJONKV-HOCLYGCPSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
364.4
MW (Da)
2.05
ALogP
5
HBA
2
HBD
93.7
PSA (Ų)
0.66
QED
0
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 7.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cathepsin K CHEMBL268 | Ki | 7.22 | 7.22 | 60.0 | 3 |
| Procathepsin L CHEMBL3837 | Ki | 6.29 | 6.29 | 513.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cathepsin K | Ki | = | 60.0 | nM | 7.22 | In vitro inhibition of human Cathepsin K. | 11262083 |
| Cathepsin K | Ki | = | 60.0 | nM | 7.22 | Inhibitory activity against human cysteine protease, cathepsin K. | 11206457 |
| Cathepsin K | Ki | = | 60.0 | nM | 7.22 | Inhibition of cathepsin K | 11206458 |
| Procathepsin L | Ki | = | 513.0 | nM | 6.29 | Inhibition of human Cathepsin L | 11262083 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11262083 | 10.1021/jm000320t | Cathepsin K | 1 |
| 11262083 | 10.1021/jm000320t | Cathepsin B | 1 |
| 11262083 | 10.1021/jm000320t | Procathepsin L | 1 |
| 11206457 | 10.1016/s0960-894x(00)00626-0 | Cathepsin K | 1 |
| 11206458 | 10.1016/s0960-894x(00)00627-2 | Cathepsin K | 1 |
Data from ChEMBL 36 via Core Engine