Compound Detail
CHEMBL2181964
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Basic Information
| ChEMBL ID | CHEMBL2181964 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IALMQIWGAXGPMA-UHFFFAOYSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
390.4
MW (Da)
2.59
ALogP
7
HBA
0
HBD
70.5
PSA (Ų)
0.53
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 9.04
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adenosine receptor A3 CHEMBL256 | Ki | 9.04 | 8.9 | 0.9 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adenosine receptor A3 | Ki | = | 0.92 | nM | 9.04 | Displacement of [3H]PSB-11 from human adenosine A3 receptor expressed on CHO cel... | 28806076 |
| Adenosine receptor A3 | Ki | = | 1.0 | nM | 9.0 | Displacement of [3H]PSB-11 from human adenosine A3 receptor expressed on CHO cel... | 28806076 |
| Adenosine receptor A3 | Ki | = | 2.2 | nM | 8.66 | Displacement of [125I]I-AB-MECA from human recombinant adenosine A3 receptor exp... | 22468757 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28806076 | 10.1021/acs.jmedchem.7b00950 | Adenosine receptor A3 | 7 |
| 22468757 | 10.1021/jm300087j | Adenosine receptor A3 | 2 |
| 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