Compound Detail
CHEMBL34789
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Basic Information
| ChEMBL ID | CHEMBL34789 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LBYIODVGGISNNW-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
300.3
MW (Da)
1.21
ALogP
6
HBA
2
HBD
92.9
PSA (Ų)
0.76
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 8.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adenosine receptor A1 CHEMBL318 | Ki | 8.6 | 8.6 | 2.5 | 1 |
| Adenosine A2 receptor CHEMBL2094117 | Ki | 7.09 | 7.09 | 81.5 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adenosine receptor A1 | Ki | = | 2.54 | nM | 8.6 | Binding affinity against adenosine A1 receptor in rat cortex by the displacement... | 2016719 |
| Adenosine A2 receptor | Ki | = | 81.5 | nM | 7.09 | Binding affinity against adenosine A2 receptor in rat striatum by the displaceme... | 2016719 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 2016719 | 10.1021/jm00108a029 | Adenosine A2 receptor | 2 |
| 2016719 | 10.1021/jm00108a029 | Adenosine receptor A1 | 1 |
Data from ChEMBL 36 via Core Engine