Compound Detail
CHEMBL606093
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Basic Information
| ChEMBL ID | CHEMBL606093 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VHMUQIWMOXQFBP-JVCSGSNQSA-N |
3
Targets
3
Activities
2
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
393.4
MW (Da)
0.37
ALogP
10
HBA
4
HBD
148.8
PSA (Ų)
0.55
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 8.99
Ki 1 meas. best 5.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adenosine A2 receptor CHEMBL2094257 | EC50 | 8.99 | 8.99 | 1.0 | 1 |
| Adenosine receptor A1 CHEMBL318 | Ki | 5.82 | 5.82 | 1500.0 | 1 |
| Adenosine receptor A1 CHEMBL2304404 | EC50 | 5.06 | 5.06 | 8709.6 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adenosine A2 receptor | EC50 | = | 1.023 | nM | 8.99 | Coronary arteries vasodilation at the adenosine A2 receptor in langendorff guine... | 2016707 |
| Adenosine receptor A1 | Ki | = | 1500.0 | nM | 5.82 | Binding affinity against adenosine A1 receptor using [3H]-CHA or [3H]PIA as radi... | 1738138 |
| Adenosine receptor A1 | EC50 | = | 8709.64 | nM | 5.06 | Prolongation of the stimulus-QRS interval by 50% of the maximum response at the ... | 2016707 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 1738138 | 10.1021/jm00081a001 | Adenosine receptor A1 | 1 |
| 1738138 | 10.1021/jm00081a001 | Adenosine A2 receptor | 1 |
| 1738138 | 10.1021/jm00081a001 | Adenosine receptors; A1 & A2 | 1 |
| 2016707 | 10.1021/jm00108a014 | Adenosine receptor A1 | 1 |
| 2016707 | 10.1021/jm00108a014 | Adenosine A2 receptor | 1 |
| 2016707 | 10.1021/jm00108a014 | Adenosine receptors; A1 & A2 | 1 |
Data from ChEMBL 36 via Core Engine