Compound Detail
CHEMBL2165377
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Basic Information
| ChEMBL ID | CHEMBL2165377 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SSMNLMGELHXQAV-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
317.2
MW (Da)
2.44
ALogP
4
HBA
2
HBD
67.2
PSA (Ų)
0.86
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 6.47
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| PC-12 CHEMBL612556 | EC50 | 6.47 | 6.47 | 340.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| PC-12 | EC50 | = | 340.0 | nM | 6.47 | Neuroprotective activity in rat PC12 cells expressing SOD1 G93A mutant assessed ... | 23021992 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23021992 | 10.1016/j.bmcl.2012.08.114 | PC-12 | 1 |
Data from ChEMBL 36 via Core Engine