Compound Detail
CHEMBL3142980
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Basic Information
| ChEMBL ID | CHEMBL3142980 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WDDPHFBMKLOVOX-DXTOWSMRSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
9
Publications
0
Known Names
Molecular Properties
303.7
MW (Da)
-0.35
ALogP
8
HBA
3
HBD
119.3
PSA (Ų)
0.65
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 6.19
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adenosine receptor A1 CHEMBL318 | Ki | 6.19 | 6.19 | 640.0 | 1 |
| Adenosine receptor A2a CHEMBL302 | Ki | 6.05 | 6.05 | 897.0 | 1 |
| Adenosine receptor A3 CHEMBL3360 | Ki | 4.08 | 4.08 | 82400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adenosine receptor A1 | Ki | = | 640.0 | nM | 6.19 | Binding affinity to adenosine A1 receptor in rat brain membranes by measuring di... | 7707320 |
| Adenosine receptor A2a | Ki | = | 897.0 | nM | 6.05 | Binding affinity to adenosine A2A receptor in rat striatal membranes by measurin... | 7707320 |
| Adenosine receptor A3 | Ki | = | 82400.0 | nM | 4.08 | Binding affinity determined by displacement of specific binding of [125I]N-(4-am... | 7707320 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/0960-894X(95)00524-5 | IM-9 | 4 |
| - | 10.1016/0960-894X(95)00524-5 | Raji | 4 |
| - | 10.1016/0960-894X(95)00524-5 | MOLT-3 | 4 |
| - | 10.1016/0960-894X(95)00524-5 | U-937 | 4 |
| - | 10.1016/0960-894X(95)00524-5 | PHA-Ly | 4 |
| 9276020 | 10.1021/jm970233+ | HepG2 | 2 |
| 7707320 | 10.1021/jm00007a014 | Adenosine receptor A1 | 1 |
| 7707320 | 10.1021/jm00007a014 | Adenosine receptor A2a | 1 |
| 7707320 | 10.1021/jm00007a014 | Adenosine receptor A3 | 1 |
Data from ChEMBL 36 via Core Engine