Compound Detail
CHEMBL1950553
SONEDENOSON 🧪 Phase II
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🧪 Phase II
Nc1nc(OCCc2ccc(Cl)cc2)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
Basic Information
| ChEMBL ID | CHEMBL1950553 |
| Name | SONEDENOSON |
| Phase | Phase II |
| Structure Type | MOL |
| InChI Key | WUCQGGOGHZRELS-LSCFUAHRSA-N |
5
Targets
7
Activities
2
Assay Types
0
PK Parameters
9
Publications
3
Known Names
1
Indications
1
Mechanisms
Molecular Properties
421.8
MW (Da)
0.29
ALogP
10
HBA
4
HBD
148.8
PSA (Ų)
0.44
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Chirality | Single Enantiomer |
Mechanism of Action
| Mechanism | Action Type | Target | Direct | Efficacy |
|---|---|---|---|---|
| Adenosine A2a receptor agonist | AGONIST | Adenosine receptor A2a | ✓ | ✓ |
Indications
Diabetic Foot
Activity Summary
Ki 6 meas. best 7.66
EC50 1 meas. best 5.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adenosine receptor A2a CHEMBL302 | Ki | 7.66 | 7.66 | 22.0 | 1 |
| Adenosine receptor A2a CHEMBL251 | Ki | 7.23 | 6.6167 | 58.5 | 3 |
| Adenosine receptor A1 CHEMBL318 | Ki | 7.05 | 7.05 | 89.0 | 1 |
| Adenosine receptor A1 CHEMBL226 | Ki | 5.0 | 5.0 | 10000.0 | 1 |
| Adenosine receptor A2b CHEMBL255 | EC50 | 5.0 | 5.0 | 10000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adenosine receptor A2a | Ki | = | 22.0 | nM | 7.66 | Binding affinity towards adenosine A2A receptor in rat brain striatum | 11170643 |
| Adenosine receptor A2a | Ki | = | 58.5 | nM | 7.23 | Binding affinity to A2A adenosine receptor | 22104008 |
| Adenosine receptor A1 | Ki | = | 89.0 | nM | 7.05 | Binding affinity towards adenosine A1 receptor in rat brain cortex | 11170643 |
| Adenosine receptor A2a | Ki | = | 490.0 | nM | 6.31 | Binding affinity to human recombinant adenosine receptor A2a | 24164628 |
| Adenosine receptor A2a | Ki | = | 490.0 | nM | 6.31 | Binding affinity to human adenosine A2A receptor | 25780876 |
| Adenosine receptor A2b | EC50 | = | 10000.0 | nM | 5.0 | Agonist activity at human recombinant adenosine receptor A2b by cAMP assay | 24164628 |
| Adenosine receptor A1 | Ki | = | 10000.0 | nM | 5.0 | Binding affinity to human recombinant adenosine A1 receptor | 24164628 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24164628 | 10.1021/jm4011669 | Unchecked | 2 |
| 11170643 | 10.1021/jm0003642 | Adenosine receptor A1 | 1 |
| 11170643 | 10.1021/jm0003642 | Adenosine receptor A2a | 1 |
| 22104008 | 10.1021/jm201461q | Adenosine receptor A2a | 1 |
| 24164628 | 10.1021/jm4011669 | Adenosine receptor A2a | 1 |
| 24164628 | 10.1021/jm4011669 | Adenosine receptor A2b | 1 |
| 24164628 | 10.1021/jm4011669 | Adenosine receptor A1 | 1 |
| 24164628 | 10.1021/jm4011669 | Adenosine receptor A3 | 1 |
| 25780876 | 10.1021/acs.jmedchem.5b00215 | Adenosine receptor A2a | 1 |
Data from ChEMBL 36 via Core Engine