Compound Detail
CHEMBL22042
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Basic Information
| ChEMBL ID | CHEMBL22042 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AMDFTERSBYGODM-UHFFFAOYSA-N |
3
Targets
4
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
332.4
MW (Da)
2.76
ALogP
6
HBA
0
HBD
61.8
PSA (Ų)
0.85
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 7.07
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adenosine A2 receptor CHEMBL2094257 | Ki | 7.07 | 7.07 | 85.0 | 1 |
| Adenosine A2 receptor CHEMBL2094117 | Ki | 6.0 | 6.0 | 1000.0 | 1 |
| Adenosine receptor A1 CHEMBL318 | Ki | 5.57 | 5.475 | 2700.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adenosine A2 receptor | Ki | = | 85.0 | nM | 7.07 | Inhibition of the stimulation by 5'-(N-ethylcarbamoyl) adenosine of adenyl cycla... | 2724296 |
| Adenosine A2 receptor | Ki | = | 1000.0 | nM | 6.0 | Inhibition of the stimulation by 5'-(N-ethylcarbamoyl) adenosine of adenyl cycla... | 2724296 |
| Adenosine receptor A1 | Ki | = | 2700.0 | nM | 5.57 | Inhibition of 1 nM [3H]- N6-(phenylisopropyl) adenosine binding to Adenosine A1 ... | 2724296 |
| Adenosine receptor A1 | Ki | = | 4200.0 | nM | 5.38 | Inhibition of 1 nM [3H]- N6 -(phenylisopropyl) adenosine binding to Adenosine A1... | 2724296 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 2724296 | 10.1021/jm00126a014 | Adenosine receptor A1 | 2 |
| 2724296 | 10.1021/jm00126a014 | Adenosine A2 receptor | 2 |
Data from ChEMBL 36 via Core Engine