Compound Detail
CHEMBL20993
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Basic Information
| ChEMBL ID | CHEMBL20993 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RCXJIEJBIXFCTK-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
350.4
MW (Da)
-0.12
ALogP
8
HBA
1
HBD
116.2
PSA (Ų)
0.64
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 4.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adenosine receptor A2a CHEMBL302 | Ki | 4.7 | 4.7 | 20000.0 | 1 |
| Adenosine A2 receptor CHEMBL2094257 | Ki | 4.24 | 4.24 | 57000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adenosine receptor A2a | Ki | = | 20000.0 | nM | 4.7 | Binding affinity for adenosine A2A receptor from rat brain membranes using [3H]C... | 8410976 |
| Adenosine A2 receptor | Ki | = | 57000.0 | nM | 4.24 | Inhibition of the stimulation by 5'-(N-ethylcarbamoyl) adenosine of adenyl cycla... | 2724296 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 2724296 | 10.1021/jm00126a014 | Adenosine receptor A1 | 2 |
| 2724296 | 10.1021/jm00126a014 | Adenosine A2 receptor | 2 |
| 8410976 | 10.1021/jm00070a007 | Adenosine receptor A1 | 1 |
| 8410976 | 10.1021/jm00070a007 | Adenosine receptor A2a | 1 |
Data from ChEMBL 36 via Core Engine