Compound Detail
CHEMBL61381
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Basic Information
| ChEMBL ID | CHEMBL61381 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MWSDOEQEOIKHRL-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
349.2
MW (Da)
5.37
ALogP
3
HBA
1
HBD
42.0
PSA (Ų)
0.69
QED
1
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 7.24
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adenosine receptor A1 CHEMBL318 | Ki | 7.24 | 7.24 | 58.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adenosine receptor A1 | Ki | = | 58.0 | nM | 7.24 | Displacement of [3H]DPCPX from Adenosine A1 receptor of rat cortical membrane | 11454470 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11454470 | 10.1016/s0960-894x(01)00356-0 | Adenosine receptor A1 | 1 |
| 11454470 | 10.1016/s0960-894x(01)00356-0 | Adenosine receptor A2a | 1 |
| 11454470 | 10.1016/s0960-894x(01)00356-0 | Adenosine receptor A3 | 1 |
Data from ChEMBL 36 via Core Engine