Compound Detail
CHEMBL150197
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Basic Information
| ChEMBL ID | CHEMBL150197 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RGIGEXFJZVCYJT-JTWWZTCWSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
319.4
MW (Da)
0.82
ALogP
8
HBA
3
HBD
105.3
PSA (Ų)
0.77
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 7.16
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adenosine receptor A1 CHEMBL318 | Ki | 7.16 | 6.89 | 70.0 | 3 |
| Adenosine receptor A2a CHEMBL302 | Ki | 5.0 | 5.0 | 10100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adenosine receptor A1 | Ki | = | 70.0 | nM | 7.16 | Affinity for the Adenosine A1 receptor in the absence of GTP (A1-GTP) by using [... | 7562934 |
| Adenosine receptor A1 | Ki | = | 70.0 | nM | 7.16 | Binding affinity against rat Adenosine A1 receptor | 14698198 |
| Adenosine receptor A1 | Ki | = | 450.0 | nM | 6.35 | Affinity for the Adenosine A1 receptor in the presence of GTP (A1+GTP) by using ... | 7562934 |
| Adenosine receptor A2a | Ki | = | 10100.0 | nM | 5.0 | Binding affinity against Adenosine A2A receptor by using [3H]CGS-21680 as radiol... | 7562934 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 7562934 | 10.1021/jm00020a014 | Adenosine receptor A1 | 2 |
| 7562934 | 10.1021/jm00020a014 | Rattus norvegicus | 1 |
| 7562934 | 10.1021/jm00020a014 | Adenosine receptor A2a | 1 |
| 14698198 | 10.1016/j.bmcl.2003.09.094 | Adenosine receptor A1 | 1 |
Data from ChEMBL 36 via Core Engine