Compound Detail
CHEMBL349445
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Basic Information
| ChEMBL ID | CHEMBL349445 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MISDWDKRXRRBHF-BHWOMJMDSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
389.4
MW (Da)
1.24
ALogP
5
HBA
2
HBD
104.8
PSA (Ų)
0.73
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 6.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cathepsin K CHEMBL268 | Ki | 6.6 | 6.6 | 250.0 | 1 |
| Cathepsin S CHEMBL2954 | Ki | 6.32 | 6.32 | 480.0 | 1 |
| Procathepsin L CHEMBL3837 | Ki | 6.24 | 6.24 | 580.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cathepsin K | Ki | = | 250.0 | nM | 6.6 | In vitro inhibition of human Cathepsin K. | 11262083 |
| Cathepsin S | Ki | = | 480.0 | nM | 6.32 | Inhibition of human Cathepsin S | 11262083 |
| Procathepsin L | Ki | = | 580.0 | nM | 6.24 | 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 S | 1 |
| 11262083 | 10.1021/jm000320t | Procathepsin L | 1 |
Data from ChEMBL 36 via Core Engine