Compound Detail
CHEMBL72040
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Basic Information
| ChEMBL ID | CHEMBL72040 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XRYLKEOUTJWYLU-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
230.2
MW (Da)
0.11
ALogP
5
HBA
1
HBD
72.7
PSA (Ų)
0.60
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 4.87
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adenosine receptor A1 CHEMBL318 | Ki | 4.87 | 4.87 | 13400.0 | 1 |
| Adenosine A2 receptor CHEMBL2094117 | Ki | 4.75 | 4.75 | 17900.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adenosine receptor A1 | Ki | = | 13400.0 | nM | 4.87 | Binding affinity against Adenosine A1 receptor in rat brain membrane, using [3H]... | 2795597 |
| Adenosine A2 receptor | Ki | = | 17900.0 | nM | 4.75 | Binding affinity against Adenosine A2 receptor in rat brain membrane, using [3H]... | 2795597 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 2795597 | 10.1021/jm00130a004 | Adenosine receptor A1 | 1 |
| 2795597 | 10.1021/jm00130a004 | Adenosine A2 receptor | 1 |
| 2795597 | 10.1021/jm00130a004 | Adenosine receptors; A1 & A2 | 1 |
Data from ChEMBL 36 via Core Engine