Compound Detail
CHEMBL276868
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Basic Information
| ChEMBL ID | CHEMBL276868 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JRUYKUSXUFPDNO-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
202.3
MW (Da)
2.33
ALogP
2
HBA
1
HBD
24.4
PSA (Ų)
0.74
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 7.04
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Alpha-1A adrenergic receptor CHEMBL229 | Ki | 7.04 | 7.04 | 91.0 | 1 |
| 5-hydroxytryptamine receptor 1D CHEMBL1983 | Ki | 6.98 | 6.98 | 105.0 | 1 |
| Nischarin CHEMBL3923 | Ki | 6.3 | 6.3 | 501.2 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Alpha-1A adrenergic receptor | Ki | = | 91.0 | nM | 7.04 | Binding affinity towards human Alpha-1 adrenergic receptor | 15324890 |
| 5-hydroxytryptamine receptor 1D | Ki | = | 105.0 | nM | 6.98 | Binding affinity towards human 5-hydroxytryptamine 1D receptor | 15324890 |
| Nischarin | Ki | = | 501.19 | nM | 6.3 | 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 |
| 15324890 | 10.1016/j.bmcl.2004.06.085 | 5-hydroxytryptamine receptor 1D | 1 |
| 15324890 | 10.1016/j.bmcl.2004.06.085 | Alpha-1A adrenergic receptor | 1 |
Data from ChEMBL 36 via Core Engine