Compound Detail
CHEMBL75126
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Basic Information
| ChEMBL ID | CHEMBL75126 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JKZGSVSZMWRNFW-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
240.3
MW (Da)
2.03
ALogP
4
HBA
2
HBD
55.1
PSA (Ų)
0.36
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 4.89
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adenosine receptor A3 CHEMBL256 | Ki | 4.89 | 4.89 | 13000.0 | 1 |
| Adenosine receptor A3 CHEMBL3360 | Ki | 4.88 | 4.88 | 13100.0 | 1 |
| Adenosine receptor A1 CHEMBL318 | Ki | 4.29 | 4.29 | 51600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adenosine receptor A3 | Ki | = | 13000.0 | nM | 4.89 | Binding affinity against human adenosine A3 receptor in HEK293 cells using [125I... | 8691424 |
| Adenosine receptor A3 | Ki | = | 13100.0 | nM | 4.88 | Displacement of [125I]AB-MECA from rat Adenosine A3 receptor expressed in CHO ce... | 8558508 |
| Adenosine receptor A1 | Ki | = | 51600.0 | nM | 4.29 | Tested for the displacement [3H]PIA from Adenosine A1 receptor in rat brain memb... | 8558508 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8558508 | 10.1021/jm9504823 | Adenosine receptor A1 | 1 |
| 8558508 | 10.1021/jm9504823 | Adenosine receptor A2a | 1 |
| 8558508 | 10.1021/jm9504823 | Adenosine receptor A3 | 1 |
| 8558508 | 10.1021/jm9504823 | Adenosine receptors; A1 & A2a | 1 |
| 8558508 | 10.1021/jm9504823 | Unchecked | 1 |
| 8691424 | 10.1021/jm950923i | Adenosine receptor A3 | 1 |
Data from ChEMBL 36 via Core Engine