Compound Detail
CHEMBL609534
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Basic Information
| ChEMBL ID | CHEMBL609534 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MPIIQNVLVJWSSQ-PZGKNFOESA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
512.3
MW (Da)
0.28
ALogP
10
HBA
5
HBD
151.6
PSA (Ų)
0.23
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 8.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adenosine receptor A1 CHEMBL318 | Ki | 8.7 | 8.69 | 2.0 | 2 |
| Adenosine receptor A3 CHEMBL3360 | Ki | 7.81 | 7.81 | 15.5 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adenosine receptor A1 | Ki | = | 2.0 | nM | 8.7 | Binding affinity for Adenosine A1 receptor using [3H]- CHA or [3H]- PIA | 1738138 |
| Adenosine receptor A1 | Ki | = | 2.1 | nM | 8.68 | Tested for the binding affinity of A1 receptor by displacing the [3H]-PIA in rat... | 7932588 |
| Adenosine receptor A3 | Ki | = | 15.5 | nM | 7.81 | Tested for the binding affinity of A3 receptor by displacing N6-[[125I]-4-amino-... | 7932588 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 7932588 | 10.1021/jm00047a018 | Adenosine receptor A1 | 1 |
| 7932588 | 10.1021/jm00047a018 | Adenosine receptor A3 | 1 |
| 7932588 | 10.1021/jm00047a018 | Adenosine receptors; A1 & A3 | 1 |
| 1738138 | 10.1021/jm00081a001 | Adenosine receptor A1 | 1 |
Data from ChEMBL 36 via Core Engine