Compound Detail
CHEMBL1790730
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Basic Information
| ChEMBL ID | CHEMBL1790730 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YYOYZRBZIVNMFY-YNEHKIRRSA-N |
1
Targets
5
Activities
2
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
333.4
MW (Da)
1.21
ALogP
8
HBA
3
HBD
105.3
PSA (Ų)
0.77
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 6.38
EC50 1 meas. best 5.02
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adenosine receptor A1 CHEMBL318 | Ki | 6.38 | 5.2125 | 412.0 | 4 |
| Adenosine receptor A1 CHEMBL318 | EC50 | 5.02 | 5.02 | 9640.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adenosine receptor A1 | Ki | = | 412.0 | nM | 6.38 | Binding affinity for adenosine A1 receptor, was assessed from the ability to dis... | 10649980 |
| Adenosine receptor A1 | Ki | = | 8940.0 | nM | 5.05 | Affinity for the Adenosine A1 receptor in the absence of GTP (A1-GTP) by using [... | 7562934 |
| Adenosine receptor A1 | EC50 | = | 9640.0 | nM | 5.02 | Stimulation of [35S]GTP-gamma-S, binding to rat brain membranes by adenosine A1 ... | 10649980 |
| Adenosine receptor A1 | Ki | = | 16700.0 | nM | 4.78 | Binding affinity for adenosine A1 receptor, was assessed from the ability to dis... | 10649980 |
| Adenosine receptor A1 | Ki | = | 22800.0 | nM | 4.64 | Affinity for the Adenosine A1 receptor in the presence of GTP (A1+GTP) by using ... | 7562934 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10649980 | 10.1021/jm9911231 | Adenosine receptor A1 | 6 |
| 7562934 | 10.1021/jm00020a014 | Adenosine receptor A1 | 2 |
| 10649980 | 10.1021/jm9911231 | Adenosine receptors; A1 & A2a | 1 |
| 7562934 | 10.1021/jm00020a014 | Rattus norvegicus | 1 |
| 7562934 | 10.1021/jm00020a014 | Adenosine receptor A2a | 1 |
Data from ChEMBL 36 via Core Engine