Compound Detail
CHEMBL93440
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Basic Information
| ChEMBL ID | CHEMBL93440 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NMNALWPFBFRYGF-UHFFFAOYSA-N |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
389.6
MW (Da)
4.96
ALogP
5
HBA
2
HBD
62.5
PSA (Ų)
0.73
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.4
EC50 1 meas. best 6.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Rattus norvegicus CHEMBL376 | EC50 | 6.4 | 6.4 | 400.0 | 1 |
| Rattus norvegicus CHEMBL376 | IC50 | 6.4 | 6.4 | 400.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 6.4 | 6.4 | 400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Rattus norvegicus | EC50 | = | 400.0 | nM | 6.4 | Ability to protect cerebellar granule cells (CGC) from iodoacetate (IAA)-induced... | 10956184 |
| Rattus norvegicus | IC50 | = | 400.0 | nM | 6.4 | Compound was tested for 50% Inhibition of lipid peroxidation in rat brain homoge... | 10956184 |
| Unchecked | IC50 | = | 400.0 | nM | 6.4 | Neuroprotective activity in CGC cells assessed as inhibition of lipid peroxidati... | 34023737 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10956184 | 10.1021/jm990945v | Rattus norvegicus | 3 |
| 34023737 | 10.1016/j.ejmech.2021.113546 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine