Compound Detail
CHEMBL179300
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Basic Information
| ChEMBL ID | CHEMBL179300 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QUEUOMCGRMRSNU-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
310.4
MW (Da)
2.47
ALogP
6
HBA
2
HBD
106.7
PSA (Ų)
0.84
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 7.09
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adenosine receptor A1 CHEMBL226 | Ki | 7.09 | 7.09 | 81.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adenosine receptor A1 | Ki | = | 81.0 | nM | 7.09 | Displacement of [3H]DPCPX binding to human adenosine A1 receptor expressed in CH... | 15771447 |
| Adenosine receptor A1 | Ki | = | 81.28 | nM | 7.09 | Antagonist activity at adenosine A1 receptor | 22236250 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15771447 | 10.1021/jm049597+ | Adenosine receptor A1 | 2 |
| 15771447 | 10.1021/jm049597+ | Adenosine receptor A2a | 1 |
| 15771447 | 10.1021/jm049597+ | Adenosine receptor A3 | 1 |
| 22236250 | 10.1021/jm201706b | Adenosine receptor A1 | 1 |
Data from ChEMBL 36 via Core Engine