Compound Detail
CHEMBL13824
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Basic Information
| ChEMBL ID | CHEMBL13824 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PLLMNAUFJLXBDJ-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
226.3
MW (Da)
2.20
ALogP
3
HBA
1
HBD
33.6
PSA (Ų)
0.85
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 8.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Nischarin CHEMBL3923 | Ki | 8.0 | 8.0 | 10.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Nischarin | Ki | = | 10.0 | nM | 8.0 | Binding affinity for imidazoline receptor I-2 in rabbit kidney homogenate (relat... | 10737743 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10737743 | 10.1021/jm991124t | Nischarin | 1 |
Data from ChEMBL 36 via Core Engine