Compound Detail
CHEMBL429858
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Basic Information
| ChEMBL ID | CHEMBL429858 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AEHHXKHHRMBYLD-SDXDJHTJSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
283.4
MW (Da)
2.86
ALogP
2
HBA
2
HBD
50.4
PSA (Ų)
0.50
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.04
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Procathepsin L CHEMBL3837 | IC50 | 6.04 | 6.04 | 910.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 5.82 | 5.82 | 1500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Procathepsin L | IC50 | = | 910.0 | nM | 6.04 | Inhibition of human cathepsin L | 18420405 |
| Unchecked | IC50 | = | 1500.0 | nM | 5.82 | Inhibition of Trypanosoma brucei rhodesain | 18420405 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19447616 | 10.1016/j.bmcl.2009.04.142 | Plasmodium falciparum | 3 |
| 18420405 | 10.1016/j.bmcl.2008.03.083 | Unchecked | 2 |
| 18420405 | 10.1016/j.bmcl.2008.03.083 | Trypanosoma brucei | 1 |
| 18420405 | 10.1016/j.bmcl.2008.03.083 | Procathepsin L | 1 |
| 18420405 | 10.1016/j.bmcl.2008.03.083 | Cathepsin B | 1 |
Data from ChEMBL 36 via Core Engine