Compound Detail
CHEMBL2113433
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Basic Information
| ChEMBL ID | CHEMBL2113433 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VFICWCCQMHAXFS-LSCFUAHRSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
375.8
MW (Da)
1.30
ALogP
8
HBA
3
HBD
105.3
PSA (Ų)
0.58
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 6.19
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adenosine receptor A2a CHEMBL302 | Ki | 6.19 | 6.19 | 641.0 | 1 |
| Adenosine receptor A3 CHEMBL256 | Ki | 5.73 | 5.73 | 1860.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adenosine receptor A2a | Ki | = | 641.0 | nM | 6.19 | Displacement of [3H]-CGS- 21680 from Adenosine A2A receptor of rat striatal memb... | 10212125 |
| Adenosine receptor A3 | Ki | = | 1860.0 | nM | 5.73 | Binding affinity at human Adenosine A3 receptor expressed in HEK 293 cells by [1... | 10212125 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10212125 | 10.1021/jm981090+ | Adenosine receptor A3 | 2 |
| 10212125 | 10.1021/jm981090+ | Adenosine receptor A1 | 1 |
| 10212125 | 10.1021/jm981090+ | Adenosine receptor A2a | 1 |
| 10212125 | 10.1021/jm981090+ | Adenosine receptors; A1 & A3 | 1 |
Data from ChEMBL 36 via Core Engine