Compound Detail
CHEMBL2148111
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Basic Information
| ChEMBL ID | CHEMBL2148111 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WFEWRCPZGFCBCS-RUDMXATFSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
272.3
MW (Da)
3.44
ALogP
3
HBA
1
HBD
46.5
PSA (Ų)
0.68
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 4.74
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| SNU-638 CHEMBL614935 | IC50 | 4.74 | 4.74 | 18410.0 | 1 |
| T47D CHEMBL614361 | IC50 | 4.66 | 4.66 | 21880.0 | 1 |
| Procathepsin L CHEMBL3837 | IC50 | 4.01 | 4.01 | 98680.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| SNU-638 | IC50 | = | 18410.0 | nM | 4.74 | Cytotoxicity against human SNU638 cells by MTT assay | 23608763 |
| T47D | IC50 | = | 21880.0 | nM | 4.66 | Cytotoxicity against human T47D cells by MTT assay | 23608763 |
| Procathepsin L | IC50 | = | 98680.0 | nM | 4.01 | Inhibition of cathepsin L (unknown origin) using Z-FR-AMC as substrate after 30 ... | 23608763 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22743086 | 10.1016/j.bmc.2012.05.062 | MDCK | 3 |
| 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