Compound Detail
CHEMBL2382119
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL2382119 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SUEVSWHILZNECV-LFYBBSHMSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
322.4
MW (Da)
4.09
ALogP
4
HBA
0
HBD
63.5
PSA (Ų)
0.36
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.03
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Procathepsin L CHEMBL3837 | IC50 | 5.03 | 5.03 | 9420.0 | 1 |
| T47D CHEMBL614361 | IC50 | 4.67 | 4.67 | 21300.0 | 1 |
| Cathepsin B CHEMBL4072 | IC50 | 4.54 | 4.54 | 28950.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Procathepsin L | IC50 | = | 9420.0 | nM | 5.03 | Inhibition of cathepsin L (unknown origin) using Z-FR-AMC as substrate after 30 ... | 23608763 |
| T47D | IC50 | = | 21300.0 | nM | 4.67 | Cytotoxicity against human T47D cells by MTT assay | 23608763 |
| Cathepsin B | IC50 | = | 28950.0 | nM | 4.54 | Inhibition of cathepsin B (unknown origin) using RR-AMC as substrate after 30 mi... | 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