Compound Detail
CHEMBL441954
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Basic Information
| ChEMBL ID | CHEMBL441954 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YGHGENGJGPQBRJ-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
336.4
MW (Da)
5.47
ALogP
3
HBA
2
HBD
53.6
PSA (Ų)
0.46
QED
1
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 7.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adenosine receptor A1 CHEMBL4975 | Ki | 7.3 | 7.3 | 50.0 | 1 |
| Adenosine receptor A1 CHEMBL318 | Ki | 6.34 | 6.34 | 460.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adenosine receptor A1 | Ki | = | 50.0 | nM | 7.3 | Displacement of [3H]CPX from adenosine A1 receptor of calf brain cortical membra... | 2002461 |
| Adenosine receptor A1 | Ki | = | 460.0 | nM | 6.34 | Displacement of [3H]CPX from adenosine A1 receptor of rat brain cortical membran... | 2002461 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 2002461 | 10.1021/jm00107a046 | Adenosine receptor A1 | 2 |
| 2002461 | 10.1021/jm00107a046 | Adenosine A2 receptor | 1 |
| 2002461 | 10.1021/jm00107a046 | Adenosine receptors; A1 & A2 | 1 |
Data from ChEMBL 36 via Core Engine