Compound Detail
CHEMBL1688380
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Basic Information
| ChEMBL ID | CHEMBL1688380 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FATRRHZCCXPNJR-DDHOLCJHSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
333.4
MW (Da)
0.92
ALogP
8
HBA
3
HBD
110.1
PSA (Ų)
0.57
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 7.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adenosine receptor A3 CHEMBL256 | Ki | 7.7 | 7.7 | 20.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adenosine receptor A3 | Ki | = | 20.0 | nM | 7.7 | Displacement of [125I]I-AB-MECA from human adenosine A3 receptor expressed in CH... | 21286238 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21286238 | 10.1021/ml1001823 | Adenosine receptor A1 | 1 |
| 21286238 | 10.1021/ml1001823 | Adenosine receptor A2a | 1 |
| 21286238 | 10.1021/ml1001823 | Adenosine receptor A3 | 1 |
| 22142423 | 10.1021/jm201229j | Adenosine receptor A3 | 1 |
| 22142423 | 10.1021/jm201229j | Adenosine receptor A2b | 1 |
Data from ChEMBL 36 via Core Engine