Compound Detail
CHEMBL83822
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Basic Information
| ChEMBL ID | CHEMBL83822 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SYUQQQFRDCSCCA-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
395.5
MW (Da)
1.96
ALogP
7
HBA
2
HBD
115.8
PSA (Ų)
0.62
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 7.64
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adenosine receptor A1 CHEMBL2304404 | Ki | 7.64 | 7.64 | 23.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adenosine receptor A1 | Ki | = | 23.0 | nM | 7.64 | Binding affinity against Adenosine A1 receptor from guinea pig forebrain membran... | 8355252 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8355252 | 10.1021/jm00069a009 | Rattus norvegicus | 12 |
| 8355252 | 10.1021/jm00069a009 | Mus musculus | 8 |
| 8355252 | 10.1021/jm00069a009 | Adenosine receptor A1 | 1 |
| 8355252 | 10.1021/jm00069a009 | Adenosine A2 receptor | 1 |
| 8355252 | 10.1021/jm00069a009 | Adenosine receptors; A1 & A2 | 1 |
Data from ChEMBL 36 via Core Engine