Compound Detail
CHEMBL446180
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Basic Information
| ChEMBL ID | CHEMBL446180 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NQYDFNJSOIGZSU-UHFFFAOYSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
391.5
MW (Da)
2.80
ALogP
4
HBA
0
HBD
43.9
PSA (Ų)
0.74
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 8.25
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Alpha-1D adrenergic receptor CHEMBL223 | Ki | 8.25 | 8.25 | 5.6 | 1 |
| 5-hydroxytryptamine receptor 1A CHEMBL214 | Ki | 7.62 | 7.62 | 24.0 | 1 |
| Alpha-1B adrenergic receptor CHEMBL232 | Ki | 5.96 | 5.96 | 1100.0 | 1 |
| Alpha-1A adrenergic receptor CHEMBL229 | Ki | 5.42 | 5.42 | 3800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Alpha-1D adrenergic receptor | Ki | = | 5.6 | nM | 8.25 | Binding affinity for human Alpha-1D adrenergic receptor | 15828846 |
| 5-hydroxytryptamine receptor 1A | Ki | = | 24.0 | nM | 7.62 | Binding affinity for human 5-hydroxytryptamine 1A receptor | 15828846 |
| Alpha-1B adrenergic receptor | Ki | = | 1100.0 | nM | 5.96 | Binding affinity for human Alpha-1B adrenergic receptor | 15828846 |
| Alpha-1A adrenergic receptor | Ki | = | 3800.0 | nM | 5.42 | Binding affinity for human Alpha-1A adrenergic receptor | 15828846 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15828846 | 10.1021/jm0491391 | Alpha-1D adrenergic receptor | 1 |
| 15828846 | 10.1021/jm0491391 | Alpha-1B adrenergic receptor | 1 |
| 15828846 | 10.1021/jm0491391 | Alpha-1A adrenergic receptor | 1 |
| 15828846 | 10.1021/jm0491391 | 5-hydroxytryptamine receptor 1A | 1 |
| 15828846 | 10.1021/jm0491391 | D(2) dopamine receptor | 1 |
| 15828846 | 10.1021/jm0491391 | D(3) dopamine receptor | 1 |
Data from ChEMBL 36 via Core Engine