Compound Detail
CHEMBL26350
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Basic Information
| ChEMBL ID | CHEMBL26350 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IPUAJXHKDUKOCH-UHFFFAOYSA-N |
4
Targets
6
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
264.3
MW (Da)
1.20
ALogP
5
HBA
1
HBD
72.7
PSA (Ų)
0.90
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 6 meas. best 6.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adenosine receptor A1 CHEMBL318 | Ki | 6.3 | 6.0 | 500.0 | 3 |
| Adenosine A2 receptor CHEMBL2094257 | Ki | 5.77 | 5.77 | 1700.0 | 1 |
| Adenosine receptor A2a CHEMBL2605 | Ki | 5.77 | 5.77 | 1700.0 | 1 |
| Adenosine A2 receptor CHEMBL2094117 | Ki | 4.82 | 4.82 | 15000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adenosine receptor A1 | Ki | = | 500.0 | nM | 6.3 | Ability to inhibit binding of 1 nM [3H]cyclohexyladenosine to adenosine A1 recep... | 3806581 |
| Adenosine receptor A1 | Ki | = | 500.0 | nM | 6.3 | Binding of 1 nM [3H]CHA to Adenosine A1 receptor of rat cerebral cortical membra... | 3172141 |
| Adenosine receptor A2a | Ki | = | 1700.0 | nM | 5.77 | Compound was evaluated for its ability to antagonise cyclic [3H]AMP accumulation... | 3806581 |
| Adenosine A2 receptor | Ki | = | 1700.0 | nM | 5.77 | Inhibition of 2-CADO-stimulated adenylate cyclase at Adenosine A2 receptor in gu... | 3172141 |
| Adenosine receptor A1 | Ki | = | 4000.0 | nM | 5.4 | Binding affinity at Adenosine A1 receptor in rat brain cortical membrane using [... | 8230124 |
| Adenosine A2 receptor | Ki | = | 15000.0 | nM | 4.82 | Binding affinity against Adenosine A2 receptor in rat striatal membranes using [... | 8230124 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8230124 | 10.1021/jm00074a015 | Adenosine receptor A1 | 1 |
| 8230124 | 10.1021/jm00074a015 | Adenosine A2 receptor | 1 |
| 3806581 | 10.1021/jm00157a035 | Adenosine receptor A1 | 1 |
| 3806581 | 10.1021/jm00157a035 | Adenosine receptor A2a | 1 |
| 3806581 | 10.1021/jm00157a035 | Unchecked | 1 |
| 3172141 | 10.1021/jm00118a032 | Adenosine receptor A1 | 1 |
| 3172141 | 10.1021/jm00118a032 | Adenosine A2 receptor | 1 |
Data from ChEMBL 36 via Core Engine