Compound Detail
CHEMBL21554
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Basic Information
| ChEMBL ID | CHEMBL21554 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FBZRBFBNBXZFAK-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
384.4
MW (Da)
2.17
ALogP
8
HBA
0
HBD
88.1
PSA (Ų)
0.61
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 5.51
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adenosine receptor A1 CHEMBL318 | Ki | 5.51 | 5.51 | 3100.0 | 1 |
| Adenosine A2 receptor CHEMBL2094257 | Ki | 4.58 | 4.58 | 26000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adenosine receptor A1 | Ki | = | 3100.0 | nM | 5.51 | Inhibition of 1 nM [3H]- N6-(phenylisopropyl) adenosine binding to Adenosine A1 ... | 2724296 |
| Adenosine A2 receptor | Ki | = | 26000.0 | nM | 4.58 | 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 | 1 |
| 2724296 | 10.1021/jm00126a014 | Adenosine A2 receptor | 1 |
Data from ChEMBL 36 via Core Engine