Compound Detail
CHEMBL1098445
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Basic Information
| ChEMBL ID | CHEMBL1098445 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PHSWBVIGLGEOIA-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
344.4
MW (Da)
3.67
ALogP
5
HBA
2
HBD
84.7
PSA (Ų)
0.59
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 7.68
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adenosine receptor A3 CHEMBL256 | Ki | 7.68 | 7.68 | 20.9 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adenosine receptor A3 | Ki | = | 20.9 | nM | 7.68 | Displacement of [125I]AB-MECA from human adenosine A3 receptor expressed in CHO ... | 20408530 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20408530 | 10.1021/jm901785w | Adenosine receptor A3 | 1 |
| 20408530 | 10.1021/jm901785w | Adenosine receptor A1 | 1 |
| 20408530 | 10.1021/jm901785w | Adenosine receptor A2a | 1 |
| 20408530 | 10.1021/jm901785w | Adenosine deaminase | 1 |
Data from ChEMBL 36 via Core Engine