Compound Detail
CHEMBL3582267
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Basic Information
| ChEMBL ID | CHEMBL3582267 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AYNXDFXUPKGGFC-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
222.7
MW (Da)
2.52
ALogP
2
HBA
1
HBD
24.4
PSA (Ų)
0.84
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 6.71
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Nischarin CHEMBL5221 | Ki | 6.71 | 6.71 | 195.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Nischarin | Ki | = | 194.98 | nM | 6.71 | Displacement of [125I]-p-iodoclonidin from I1-imidazoline receptor in rat PC12 c... | 26005521 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26005521 | 10.1021/acsmedchemlett.5b00115 | Rattus norvegicus | 6 |
| 26005521 | 10.1021/acsmedchemlett.5b00115 | Adrenergic receptor alpha-2 | 1 |
| 26005521 | 10.1021/acsmedchemlett.5b00115 | Nischarin | 1 |
Data from ChEMBL 36 via Core Engine