Compound Detail
CHEMBL418716
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Basic Information
| ChEMBL ID | CHEMBL418716 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CEAKDQVDDQMVIY-UHFFFAOYSA-N |
2
Targets
5
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
257.3
MW (Da)
1.59
ALogP
4
HBA
1
HBD
36.9
PSA (Ų)
0.83
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 5 meas. best 6.2
Target Activity Profile
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Nischarin | Ki | = | 630.96 | nM | 6.2 | Binding affinity for imidazoline receptor I-2 in rabbit kidney homogenate (relat... | 10737743 |
| Nischarin | Ki | = | 643.0 | nM | 6.19 | In vitro binding affinity determined against imidazoline receptor I-2 using rabb... | 12723959 |
| Unchecked | Ki | = | 2150.0 | nM | 5.67 | In vitro alpha-2 adrenergic receptor binding affinity was determined on calf fro... | 12723959 |
| Nischarin | Ki | = | 2440.0 | nM | 5.61 | In vitro binding affinity determined against imidazoline receptor I-1 from rabbi... | 12723959 |
| Unchecked | Ki | = | 4600.0 | nM | 5.34 | In vitro alpha-1 adrenergic receptor binding affinity was determined on calf fro... | 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