Compound Detail
CHEMBL85864
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Basic Information
| ChEMBL ID | CHEMBL85864 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HJTGTZDQBVSGKR-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
346.4
MW (Da)
1.95
ALogP
9
HBA
1
HBD
113.0
PSA (Ų)
0.53
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 8.16
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adenosine receptor A2a CHEMBL302 | Ki | 8.16 | 8.16 | 6.9 | 1 |
| Adenosine receptor A1 CHEMBL318 | Ki | 7.37 | 7.37 | 42.4 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adenosine receptor A2a | Ki | = | 6.9 | nM | 8.16 | Binding ability of adenosine A2a receptor by using [3H]-CGS- as radioligand in r... | - |
| Adenosine receptor A1 | Ki | = | 42.4 | nM | 7.37 | Binding ability of adenosine A1 receptor by using [3H]CHA as radioligand in rat ... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/S0960-894X(01)80279-1 | Adenosine receptor A1 | 1 |
| - | 10.1016/S0960-894X(01)80279-1 | Adenosine receptor A2a | 1 |
| - | 10.1016/S0960-894X(01)80279-1 | Adenosine receptors; A1 & A2a | 1 |
Data from ChEMBL 36 via Core Engine