Compound Detail
CHEMBL607729
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Basic Information
| ChEMBL ID | CHEMBL607729 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OVICXQSQXALSST-IKYDMHQPSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
411.9
MW (Da)
1.62
ALogP
9
HBA
4
HBD
125.5
PSA (Ų)
0.56
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 6.91
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adenosine receptor A1 CHEMBL318 | Ki | 6.91 | 6.91 | 122.0 | 1 |
| Adenosine receptor A2a CHEMBL302 | Ki | 5.37 | 5.37 | 4230.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adenosine receptor A1 | Ki | = | 122.0 | nM | 6.91 | Binding affinity for adenosine A1 receptor was assayed by displacement of [3H]DP... | 10649980 |
| Adenosine receptor A2a | Ki | = | 4230.0 | nM | 5.37 | Binding affinity for adenosine A2A receptor was determined by displacement of [3... | 10649980 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 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 |
Data from ChEMBL 36 via Core Engine