Compound Detail
CHEMBL286269
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Basic Information
| ChEMBL ID | CHEMBL286269 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BYGZPILZIWTFRA-UHFFFAOYSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
11
Publications
0
Known Names
Molecular Properties
204.3
MW (Da)
2.94
ALogP
2
HBA
1
HBD
28.7
PSA (Ų)
0.76
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 9.46
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Alpha-2A adrenergic receptor CHEMBL327 | Ki | 9.46 | 9.46 | 0.3 | 2 |
| Adrenergic receptor alpha-1 CHEMBL1907610 | Ki | 7.04 | 7.04 | 91.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Alpha-2A adrenergic receptor | Ki | = | 0.35 | nM | 9.46 | Binding affinity towards alpha-2D adrenergic receptor | 10715142 |
| Alpha-2A adrenergic receptor | Ki | = | 0.35 | nM | 9.46 | In vitro rat alpha-2D adrenergic receptor binding using p-aminoclonidine | 10753480 |
| Adrenergic receptor alpha-1 | Ki | = | 91.0 | nM | 7.04 | Tested for Binding affinity towards alpha-1 adrenergic receptor | 10715142 |
| Adrenergic receptor alpha-1 | Ki | = | 91.0 | nM | 7.04 | in vitro alpha-1 adrenergic receptor binding assay from rats, using RX 821002 as... | 10753480 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10715142 | 10.1021/jm990569e | Alpha-2A adrenergic receptor | 2 |
| 10753480 | 10.1021/jm000128r | Alpha-2A adrenergic receptor | 2 |
| 10715142 | 10.1021/jm990569e | Alpha-2C adrenergic receptor | 1 |
| 10715142 | 10.1021/jm990569e | Adrenergic receptor alpha-1 | 1 |
| 10715142 | 10.1021/jm990569e | Mus musculus | 1 |
| 10715142 | 10.1021/jm990569e | Unchecked | 1 |
| 10753480 | 10.1021/jm000128r | Alpha-2B adrenergic receptor | 1 |
| 10753480 | 10.1021/jm000128r | Alpha-2C adrenergic receptor | 1 |
| 10753480 | 10.1021/jm000128r | Adrenergic receptor alpha-1 | 1 |
| 10753480 | 10.1021/jm000128r | Mus musculus | 1 |
| 10753480 | 10.1021/jm000128r | Rattus norvegicus | 1 |
Data from ChEMBL 36 via Core Engine