Compound Detail
CHEMBL1790734
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Basic Information
| ChEMBL ID | CHEMBL1790734 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | POVXZSUIRZLFEN-HBNTYKKESA-N |
1
Targets
3
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
353.8
MW (Da)
1.47
ALogP
8
HBA
3
HBD
105.3
PSA (Ų)
0.71
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 6.81
EC50 1 meas. best 5.81
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adenosine receptor A1 CHEMBL318 | Ki | 6.81 | 6.345 | 154.0 | 2 |
| Adenosine receptor A1 CHEMBL318 | EC50 | 5.81 | 5.81 | 1560.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adenosine receptor A1 | Ki | = | 154.0 | nM | 6.81 | Binding affinity for adenosine A1 receptor, was assessed from the ability to dis... | 10649980 |
| Adenosine receptor A1 | Ki | = | 1320.0 | nM | 5.88 | Binding affinity for adenosine A1 receptor, was assessed from the ability to dis... | 10649980 |
| Adenosine receptor A1 | EC50 | = | 1560.0 | nM | 5.81 | Stimulation of [35S]GTP-gamma-S, binding to rat brain membranes by adenosine A1 ... | 10649980 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10649980 | 10.1021/jm9911231 | Adenosine receptor A1 | 6 |
| 9873575 | 10.1016/s0960-894x(98)00452-1 | ADMET | 4 |
| 10649980 | 10.1021/jm9911231 | Adenosine receptors; A1 & A2a | 1 |
Data from ChEMBL 36 via Core Engine