Compound Detail
CHEMBL68595
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Basic Information
| ChEMBL ID | CHEMBL68595 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XEODKJBBFMCWBV-HAHDFKILSA-N |
1
Targets
5
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
489.6
MW (Da)
5.64
ALogP
6
HBA
2
HBD
75.6
PSA (Ų)
0.24
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 6.68
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cathepsin D CHEMBL2581 | IC50 | 6.68 | 6.438 | 210.0 | 5 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cathepsin D | IC50 | = | 210.0 | nM | 6.68 | Inhibition of cathepsin D (unknown origin) | 25086681 |
| Cathepsin D | IC50 | = | 210.0 | nM | 6.68 | Inhibition of Cathepsin D (unknown origin) | 33271453 |
| Cathepsin D | IC50 | = | 340.0 | nM | 6.47 | In vitro inhibition of cathepsin D. | - |
| Cathepsin D | IC50 | = | 340.0 | nM | 6.47 | Inhibitory activity against human liver Cathepsin D using Cathepsin D assay. | 10498202 |
| Cathepsin D | IC50 | = | 1300.0 | nM | 5.89 | Compound was evaluated for the inhibition of cathepsin D at an enzyme level of 5... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/0960-894X(96)00393-9 | Cathepsin D | 2 |
| - | 10.1016/0960-894X(96)00393-9 | Cytosol aminopeptidase | 2 |
| - | 10.1016/0960-894X(96)00393-9 | Unchecked | 2 |
| 10498202 | 10.1016/s0960-894x(99)00433-3 | Cathepsin D | 1 |
| 25086681 | 10.1016/j.bmcl.2014.07.054 | Cathepsin D | 1 |
| 33271453 | 10.1016/j.bmc.2020.115879 | Cathepsin D | 1 |
Data from ChEMBL 36 via Core Engine