Compound Detail
CHEMBL131133
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Basic Information
| ChEMBL ID | CHEMBL131133 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CMDNLAPAEVHOQL-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
298.4
MW (Da)
3.94
ALogP
5
HBA
0
HBD
43.4
PSA (Ų)
0.62
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 5.75
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adenosine receptor A1 CHEMBL318 | Ki | 5.75 | 5.75 | 1790.0 | 1 |
| Adenosine receptor A2a CHEMBL302 | Ki | 5.33 | 5.33 | 4630.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adenosine receptor A1 | Ki | = | 1790.0 | nM | 5.75 | Tested for the displacement [3H]PIA from Adenosine A1 receptor in rat brain memb... | 8558508 |
| Adenosine receptor A2a | Ki | = | 4630.0 | nM | 5.33 | Displacement [3H]-CGS-21,680 from Adenosine A2A receptor in rat striatal membran... | 8558508 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8558508 | 10.1021/jm9504823 | Adenosine receptor A1 | 1 |
| 8558508 | 10.1021/jm9504823 | Adenosine receptor A2a | 1 |
| 8558508 | 10.1021/jm9504823 | Adenosine receptors; A1 & A2a | 1 |
Data from ChEMBL 36 via Core Engine