Compound Detail
CHEMBL2382118
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Basic Information
| ChEMBL ID | CHEMBL2382118 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SVNHQWWCFDSCRH-LFYBBSHMSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
295.4
MW (Da)
4.32
ALogP
2
HBA
0
HBD
20.3
PSA (Ų)
0.62
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.26
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cathepsin B CHEMBL4072 | IC50 | 4.26 | 4.26 | 54290.0 | 1 |
| Procathepsin L CHEMBL3837 | IC50 | 4.25 | 4.25 | 56510.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cathepsin B | IC50 | = | 54290.0 | nM | 4.26 | Inhibition of cathepsin B (unknown origin) using RR-AMC as substrate after 30 mi... | 23608763 |
| Procathepsin L | IC50 | = | 56510.0 | nM | 4.25 | Inhibition of cathepsin L (unknown origin) using Z-FR-AMC as substrate after 30 ... | 23608763 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23608763 | 10.1016/j.bmcl.2013.03.106 | DNA topoisomerase 2-alpha | 2 |
| 23608763 | 10.1016/j.bmcl.2013.03.106 | DNA topoisomerase 1 | 2 |
| 23608763 | 10.1016/j.bmcl.2013.03.106 | SNU-638 | 1 |
| 23608763 | 10.1016/j.bmcl.2013.03.106 | T47D | 1 |
| 23608763 | 10.1016/j.bmcl.2013.03.106 | Procathepsin L | 1 |
| 23608763 | 10.1016/j.bmcl.2013.03.106 | Cathepsin B | 1 |
Data from ChEMBL 36 via Core Engine