Compound Detail
CHEMBL76931
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Basic Information
| ChEMBL ID | CHEMBL76931 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IRFCNWTWPGGCAZ-PKNBQFBNSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
412.5
MW (Da)
2.90
ALogP
8
HBA
0
HBD
80.3
PSA (Ų)
0.57
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 8.09
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adenosine receptor A2a CHEMBL302 | Ki | 8.09 | 8.09 | 8.2 | 1 |
| Adenosine receptor A1 CHEMBL318 | Ki | 6.82 | 6.82 | 150.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adenosine receptor A2a | Ki | = | 8.2 | nM | 8.09 | In vitro binding affinity against Adenosine A2a receptor in rat forebrain membra... | - |
| Adenosine receptor A1 | Ki | = | 150.0 | nM | 6.82 | Displacement of [3H]CHA from Adenosine A1 receptor of rat forebrain membranes | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/S0960-894X(97)00440-X | Adenosine receptor A1 | 1 |
| - | 10.1016/S0960-894X(97)00440-X | Adenosine receptor A2a | 1 |
| - | 10.1016/S0960-894X(97)00440-X | Adenosine receptors; A1 & A2a | 1 |
| - | 10.1016/S0960-894X(97)00440-X | Mus musculus | 1 |
Data from ChEMBL 36 via Core Engine