Compound Detail
CHEMBL1643557
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Basic Information
| ChEMBL ID | CHEMBL1643557 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XEMDSKBGRCVJRI-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
275.2
MW (Da)
3.30
ALogP
2
HBA
2
HBD
48.6
PSA (Ų)
0.84
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 6.77
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Superoxide dismutase [Cu-Zn] CHEMBL2354 | EC50 | 6.77 | 6.77 | 170.0 | 1 |
| Unchecked CHEMBL612545 | EC50 | 6.77 | 6.77 | 170.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | EC50 | = | 170.0 | nM | 6.77 | Inhibition of SOD1 G93A mutant aggregation in rat PC12 cells by cytotoxicity pro... | 21095130 |
| Superoxide dismutase [Cu-Zn] | EC50 | = | 170.0 | nM | 6.77 | Inhibition of SOD1 G93A mutant aggregation-induced cytotoxicity in rat PC12 cell... | 22191331 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22191331 | 10.1021/jm2014277 | Superoxide dismutase [Cu-Zn] | 2 |
| 21095130 | 10.1016/j.bmc.2010.10.052 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine