Compound Detail
CHEMBL335007
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Basic Information
| ChEMBL ID | CHEMBL335007 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UHXBCZCBBZGVER-INIZCTEOSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
314.4
MW (Da)
3.61
ALogP
2
HBA
2
HBD
62.0
PSA (Ų)
0.69
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.54
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Procathepsin L CHEMBL3837 | IC50 | 6.54 | 6.54 | 290.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Procathepsin L | IC50 | = | 290.0 | nM | 6.54 | Inhibition of human cathepsin L. | 9784105 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9784105 | 10.1021/jm9803065 | Procathepsin L | 1 |
| 9784105 | 10.1021/jm9803065 | Cathepsin B | 1 |
| 9784105 | 10.1021/jm9803065 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine