Compound Detail
CHEMBL5271072
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CCOC(=O)C1=C(C)NC2=C(C=Nc3ccccc3N2)[C@@H]1c1ccccc1[N+](=O)[O-]
Basic Information
| ChEMBL ID | CHEMBL5271072 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SJSJDWHYJXEJSQ-FQEVSTJZSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
404.4
MW (Da)
4.16
ALogP
7
HBA
2
HBD
105.9
PSA (Ų)
0.45
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| PC-12 CHEMBL612556 | IC50 | 8.1 | 7.82 | 8.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| PC-12 | IC50 | = | 8.0 | nM | 8.1 | Cytoprotective activity against KCN induced-toxicity in rat PC-12 cells assessed... | 32942072 |
| PC-12 | IC50 | = | 29.0 | nM | 7.54 | Cytoprotective activity against glutamate induced-toxicity in rat PC-12 cells as... | 32942072 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 32942072 | 10.1016/j.ejmech.2020.112779 | PC-12 | 2 |
| 32942072 | 10.1016/j.ejmech.2020.112779 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine