Compound Detail
CHEMBL287686
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Basic Information
| ChEMBL ID | CHEMBL287686 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RXZNEEBIQUTRGK-UHFFFAOYSA-N |
| Parent Compound | CHEMBL1087942 |
| Active Moiety | CHEMBL1087942 |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
435.5
MW (Da)
3.99
ALogP
6
HBA
1
HBD
58.2
PSA (Ų)
0.49
QED
0
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 1 meas. best 6.93
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Alpha-1D adrenergic receptor CHEMBL326 | Kd | 6.93 | 6.93 | 117.5 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Alpha-1D adrenergic receptor | Kd | = | 117.49 | nM | 6.93 | Antagonistic activity against (-)-noradrenaline-induced contraction of rat thora... | 12672251 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12672251 | 10.1021/jm021078o | Alpha-1A adrenergic receptor | 1 |
| 12672251 | 10.1021/jm021078o | Alpha-1B adrenergic receptor | 1 |
| 12672251 | 10.1021/jm021078o | Alpha-1D adrenergic receptor | 1 |
| 12672251 | 10.1021/jm021078o | Alpha adrenergic receptor 1A and 1D | 1 |
| 12672251 | 10.1021/jm021078o | Unchecked | 1 |
| 12672251 | 10.1021/jm021078o | Alpha adrenergic receptor 1A and 1B | 1 |
Data from ChEMBL 36 via Core Engine