Compound Detail
CHEMBL122746
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Basic Information
| ChEMBL ID | CHEMBL122746 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LDARQNUFKQRDEU-RVPDGLALSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
452.5
MW (Da)
1.54
ALogP
9
HBA
4
HBD
134.4
PSA (Ų)
0.44
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 7.17
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adenosine receptor A1 CHEMBL318 | Ki | 7.17 | 7.125 | 68.0 | 2 |
| Adenosine receptor A2a CHEMBL302 | Ki | 6.1 | 6.1 | 790.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adenosine receptor A1 | Ki | = | 68.0 | nM | 7.17 | Affinity for adenosine A1 receptor was determined, in the presence of GTP in rat... | 9371242 |
| Adenosine receptor A1 | Ki | = | 83.0 | nM | 7.08 | Affinity for adenosine A1 receptor was determined, in the absence of GTP in rat ... | 9371242 |
| Adenosine receptor A2a | Ki | = | 790.0 | nM | 6.1 | Affinity for adenosine A2a receptor was determined on rat striatal membrane usin... | 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