Compound Detail
CHEMBL261307
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Basic Information
| ChEMBL ID | CHEMBL261307 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PWOGTTWZSMQARN-JXAWBTAJSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
287.4
MW (Da)
2.72
ALogP
2
HBA
2
HBD
50.4
PSA (Ų)
0.52
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.36
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Procathepsin L CHEMBL3837 | IC50 | 7.36 | 7.36 | 44.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 7.05 | 7.05 | 89.0 | 1 |
| Cathepsin B CHEMBL4072 | IC50 | 5.35 | 5.35 | 4500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Procathepsin L | IC50 | = | 44.0 | nM | 7.36 | Inhibition of human cathepsin L | 18420405 |
| Unchecked | IC50 | = | 89.0 | nM | 7.05 | Inhibition of Trypanosoma brucei rhodesain | 18420405 |
| Cathepsin B | IC50 | = | 4500.0 | nM | 5.35 | Inhibition of human cathepsin B | 18420405 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 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