Compound Detail
CHEMBL569275
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL569275 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LDCLWBBQUVOXBH-IDTAVKCVSA-N |
3
Targets
4
Activities
1
Assay Types
0
PK Parameters
10
Publications
0
Known Names
Molecular Properties
321.3
MW (Da)
-0.60
ALogP
9
HBA
4
HBD
125.5
PSA (Ų)
0.59
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 9.11
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adenosine receptor A1 CHEMBL318 | Ki | 9.11 | 8.76 | 0.8 | 2 |
| Adenosine A2 receptor CHEMBL2094117 | Ki | 6.58 | 6.58 | 263.0 | 1 |
| Adenosine receptor A2a CHEMBL302 | Ki | 6.38 | 6.38 | 420.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adenosine receptor A1 | Ki | = | 0.777 | nM | 9.11 | Displacement of [3H]CHA from adenosine A1 receptor of rat whole brain | 2995663 |
| Adenosine receptor A1 | Ki | = | 3.92 | nM | 8.41 | Binding affinity for adenosine A1 receptor was assayed by displacement of [3H]DP... | 10649980 |
| Adenosine A2 receptor | Ki | = | 263.0 | nM | 6.58 | Displacement of [3H]-NECA from adenosine A2 receptor of rat striatal membrane | 2995663 |
| Adenosine receptor A2a | Ki | = | 420.0 | nM | 6.38 | Binding affinity for adenosine A2A receptor was determined by displacement of [3... | 10649980 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 2999397 | 10.1021/jm00149a016 | Alpha-1A adrenergic receptor | 1 |
| 2999397 | 10.1021/jm00149a016 | ADMET | 1 |
| 10649980 | 10.1021/jm9911231 | Adenosine receptor A1 | 1 |
| 10649980 | 10.1021/jm9911231 | Adenosine receptor A2a | 1 |
| 10649980 | 10.1021/jm9911231 | Adenosine receptors; A1 & A2a | 1 |
| 2995663 | 10.1021/jm00148a001 | Adenosine receptor A1 | 1 |
| 2995663 | 10.1021/jm00148a001 | Adenosine A2 receptor | 1 |
| 2995663 | 10.1021/jm00148a001 | No relevant target | 1 |
| 2995663 | 10.1021/jm00148a001 | Adenosine receptors; A1 & A2 | 1 |
| 19731917 | 10.1021/jm9006356 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine