Compound Detail
CHEMBL2112612
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Basic Information
| ChEMBL ID | CHEMBL2112612 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ONULWZBXVFUGAX-WYFUGZQLSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
370.4
MW (Da)
-0.54
ALogP
9
HBA
4
HBD
148.4
PSA (Ų)
0.48
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 5.61
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adenosine receptor A2a CHEMBL302 | Ki | 5.61 | 5.61 | 2470.0 | 1 |
| Adenosine receptor A1 CHEMBL318 | Ki | 4.96 | 4.96 | 10900.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adenosine receptor A2a | Ki | = | 2470.0 | nM | 5.61 | Affinity for adenosine A2a receptor was determined on rat striatal membrane usin... | 9371242 |
| Adenosine receptor A1 | Ki | = | 10900.0 | nM | 4.96 | Affinity for adenosine A1 receptor was determined, in the absence of GTP in rat ... | 9371242 |
| Adenosine receptor A1 | Ki | = | 11100.0 | nM | 4.96 | Affinity for adenosine A1 receptor was determined, in the presence of GTP in rat... | 9371242 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9371242 | 10.1021/jm970176k | Adenosine receptor A1 | 3 |
| 9371242 | 10.1021/jm970176k | Adenosine receptor A2a | 1 |
Data from ChEMBL 36 via Core Engine