Compound Detail
CHEMBL283847
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL283847 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PXDSJJXIKQJRHR-MDZDMXLPSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
442.5
MW (Da)
2.91
ALogP
9
HBA
0
HBD
89.5
PSA (Ų)
0.51
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 6.77
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adenosine receptor A2a CHEMBL302 | Ki | 6.77 | 6.77 | 170.0 | 1 |
| Adenosine A2 receptor CHEMBL2094117 | Ki | 6.49 | 6.49 | 327.0 | 1 |
| Adenosine receptor A1 CHEMBL318 | Ki | 6.16 | 6.16 | 689.0 | 1 |
| Adenosine receptor A1 CHEMBL2304404 | Ki | 5.48 | 5.48 | 3300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adenosine receptor A2a | Ki | = | 170.0 | nM | 6.77 | In vitro binding affinity against Adenosine A2a receptor in rat forebrain membra... | - |
| Adenosine A2 receptor | Ki | = | 327.0 | nM | 6.49 | Binding affinity against adenosine A2 receptor in rat brain using [3H]- CGS 2168... | 8496902 |
| Adenosine receptor A1 | Ki | = | 689.0 | nM | 6.16 | Affinity against Adenosine A1 receptor in rat brain using [3H]- PIA as radioliga... | 8496902 |
| Adenosine receptor A1 | Ki | = | 3300.0 | nM | 5.48 | Displacement of [3H]CHA from Adenosine A1 receptor of guinea pig forebrain membr... | - |
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 |
| 8496902 | 10.1021/jm00062a005 | Adenosine receptor A1 | 1 |
| 8496902 | 10.1021/jm00062a005 | Adenosine A2 receptor | 1 |
| 8496902 | 10.1021/jm00062a005 | Adenosine receptors; A1 & A2 | 1 |
Data from ChEMBL 36 via Core Engine