Compound Detail
CHEMBL117317
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Basic Information
| ChEMBL ID | CHEMBL117317 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DJCMIWPVOGLFDH-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
281.3
MW (Da)
1.62
ALogP
4
HBA
0
HBD
53.7
PSA (Ų)
0.84
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 4.79
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adenosine receptor A2a CHEMBL302 | Ki | 4.79 | 4.79 | 16100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adenosine receptor A2a | Ki | = | 16100.0 | nM | 4.79 | Binding affinity to the adenosine A2A receptor by displacement of [3H]CGS-21680 ... | 12139454 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12139454 | 10.1021/jm011093d | Adenosine receptor A1 | 1 |
| 12139454 | 10.1021/jm011093d | Adenosine receptor A2a | 1 |
| 12139454 | 10.1021/jm011093d | Adenosine receptor A3 | 1 |
Data from ChEMBL 36 via Core Engine