Compound Detail
CHEMBL13918
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Basic Information
| ChEMBL ID | CHEMBL13918 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YNANOBAASXATSK-UHFFFAOYSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
203.2
MW (Da)
0.86
ALogP
4
HBA
2
HBD
45.6
PSA (Ų)
0.71
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 7.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Nischarin CHEMBL3923 | Ki | 7.3 | 6.89 | 50.1 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Nischarin | Ki | = | 50.12 | nM | 7.3 | Binding affinity for imidazoline receptor I-2 in rabbit kidney homogenate (relat... | 10737743 |
| Nischarin | Ki | = | 51.0 | nM | 7.29 | In vitro binding affinity determined against imidazoline receptor I-2 using rabb... | 12723959 |
| Nischarin | Ki | = | 840.0 | nM | 6.08 | In vitro binding affinity determined against imidazoline receptor I-1 from rabbi... | 12723959 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12723959 | 10.1021/jm021050c | Rattus norvegicus | 4 |
| 12723959 | 10.1021/jm021050c | Nischarin | 2 |
| 12723959 | 10.1021/jm021050c | Unchecked | 2 |
| 10737743 | 10.1021/jm991124t | Nischarin | 1 |
Data from ChEMBL 36 via Core Engine