Compound Detail
CHEMBL34004
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Basic Information
| ChEMBL ID | CHEMBL34004 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JRLIUMNSBXRALC-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
276.3
MW (Da)
1.49
ALogP
5
HBA
1
HBD
72.7
PSA (Ų)
0.92
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 9.28
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adenosine receptor A1 CHEMBL4975 | Ki | 9.28 | 9.28 | 0.5 | 1 |
| Adenosine receptor A1 CHEMBL318 | Ki | 9.07 | 9.07 | 0.8 | 1 |
| Adenosine A2 receptor CHEMBL2094117 | Ki | 6.61 | 6.61 | 247.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adenosine receptor A1 | Ki | = | 0.526 | nM | 9.28 | Displacement of [3H]CPX from Adenosine A1 receptor of bovine brain cerebral cort... | 9484505 |
| Adenosine receptor A1 | Ki | = | 0.85 | nM | 9.07 | Binding affinity against adenosine A1 receptor in rat cortex by the displacement... | 2016719 |
| Adenosine A2 receptor | Ki | = | 247.0 | nM | 6.61 | 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 |
| 9484505 | 10.1021/jm9705465 | Adenosine receptor A1 | 1 |
| 2016719 | 10.1021/jm00108a029 | Adenosine receptor A1 | 1 |
Data from ChEMBL 36 via Core Engine