Compound Detail
CHEMBL324095
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Basic Information
| ChEMBL ID | CHEMBL324095 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WUITWLXZVHPCHU-UHFFFAOYSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
323.3
MW (Da)
1.23
ALogP
7
HBA
1
HBD
115.3
PSA (Ų)
0.44
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 8.27
Ki 1 meas. best 9.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adenosine receptor A3 CHEMBL256 | Ki | 9.22 | 9.22 | 0.6 | 1 |
| Adenosine receptor A3 CHEMBL256 | EC50 | 8.27 | 8.27 | 5.4 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adenosine receptor A3 | Ki | = | 0.6 | nM | 9.22 | Binding affinity against human adenosine A3 receptor expressed in CHO cells by [... | 15214785 |
| Adenosine receptor A3 | EC50 | = | 5.4 | nM | 8.27 | Effective concentration for inhibition of NECA-stimulated [35S]GTP-gamma-S, bind... | 15214785 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15214785 | 10.1021/jm031136l | Adenosine receptor A1 | 2 |
| 15214785 | 10.1021/jm031136l | Adenosine receptor A3 | 2 |
| 15214785 | 10.1021/jm031136l | Adenosine receptor A2a | 1 |
| 15214785 | 10.1021/jm031136l | Adenosine receptors; A1 & A3 | 1 |
| 15214785 | 10.1021/jm031136l | Adenosine receptors; A2a & A3 | 1 |
| 15993066 | 10.1016/j.bmcl.2005.05.051 | Adenosine receptor A3 | 1 |
Data from ChEMBL 36 via Core Engine