Compound Detail
CHEMBL2181966
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Basic Information
| ChEMBL ID | CHEMBL2181966 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IJAPUBHYHCDJEW-RVXWVPLUSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
9
Publications
0
Known Names
Molecular Properties
347.4
MW (Da)
-0.44
ALogP
9
HBA
4
HBD
139.5
PSA (Ų)
0.43
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 6.19
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adenosine receptor A3 CHEMBL256 | Ki | 6.19 | 6.19 | 650.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adenosine receptor A3 | Ki | = | 650.0 | nM | 6.19 | [3H]NECA saturation binding in CHO cells expressing human Adenosine A3 receptor | 11459663 |
| Adenosine receptor A3 | Ki | = | 650.0 | nM | 6.19 | Displacement of [125I]I-AB-MECA from human recombinant adenosine A3 receptor exp... | 22468757 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11459663 | 10.1016/s0960-894x(01)00347-x | Adenosine receptor A3 | 2 |
| 22468757 | 10.1021/jm300087j | Adenosine receptor A3 | 2 |
| 11459663 | 10.1016/s0960-894x(01)00347-x | Adenosine receptor A1 | 1 |
| 11459663 | 10.1016/s0960-894x(01)00347-x | Adenosine receptor A2a | 1 |
| 11459663 | 10.1016/s0960-894x(01)00347-x | Adenosine receptor A2b | 1 |
| 22468757 | 10.1021/jm300087j | Adenosine receptor A2a | 1 |
| 22468757 | 10.1021/jm300087j | Adenosine receptor A1 | 1 |
| 22468757 | 10.1021/jm300087j | Unchecked | 1 |
| 22468757 | 10.1021/jm300087j | Adenosine receptors; A1 & A3 | 1 |
Data from ChEMBL 36 via Core Engine