Compound Detail
CHEMBL7681
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Basic Information
| ChEMBL ID | CHEMBL7681 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GYJRRQRGZZEHEB-UHFFFAOYSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
195.2
MW (Da)
0.76
ALogP
4
HBA
3
HBD
61.7
PSA (Ų)
0.58
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 7.58
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adrenergic receptor alpha-2 CHEMBL2093864 | Ki | 7.58 | 7.58 | 26.0 | 1 |
| Adrenergic receptor alpha-1 CHEMBL1907610 | Ki | 5.13 | 5.13 | 7400.0 | 1 |
| Beta-2 adrenergic receptor CHEMBL3373 | Ki | 5.04 | 5.04 | 9200.0 | 1 |
| Beta-1 adrenergic receptor CHEMBL3252 | Ki | 4.82 | 4.82 | 15000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adrenergic receptor alpha-2 | Ki | = | 26.0 | nM | 7.58 | Compound was evaluated for alpha adrenergic binding affinity towards Alpha-2 adr... | 1313109 |
| Adrenergic receptor alpha-1 | Ki | = | 7400.0 | nM | 5.13 | Binding affinity towards Alpha-1 adrenergic receptor of rat brain | 1313109 |
| Beta-2 adrenergic receptor | Ki | = | 9200.0 | nM | 5.04 | Compound was evaluated for beta adrenergic binding affinity towards beta-2 recep... | 1313109 |
| Beta-1 adrenergic receptor | Ki | = | 15000.0 | nM | 4.82 | Compound was evaluated for beta adrenergic binding affinity towards beta-1 recep... | 1313109 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 3009812 | 10.1021/jm00155a025 | Adrenergic receptor alpha | 4 |
| 3009812 | 10.1021/jm00155a025 | Adrenergic receptor beta | 4 |
| 1313109 | 10.1021/jm00084a006 | Adrenergic receptor alpha-1 | 4 |
| 1313109 | 10.1021/jm00084a006 | Adrenergic receptor alpha-2 | 3 |
| 1313109 | 10.1021/jm00084a006 | Beta-1 adrenergic receptor | 3 |
| 1313109 | 10.1021/jm00084a006 | Beta-2 adrenergic receptor | 3 |
Data from ChEMBL 36 via Core Engine