Compound Detail
CHEMBL157836
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Basic Information
| ChEMBL ID | CHEMBL157836 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BEKKFNDDAYCGCI-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
314.4
MW (Da)
1.16
ALogP
7
HBA
1
HBD
98.5
PSA (Ų)
0.76
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 7.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adenosine receptor A2b CHEMBL255 | Ki | 7.1 | 7.1 | 79.6 | 1 |
| Adenosine A2 receptor CHEMBL2094257 | Ki | 5.44 | 5.44 | 3600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adenosine receptor A2b | Ki | = | 79.6 | nM | 7.1 | Binding affinity at human Adenosine A2B receptor expressed in HEK293 cells, usin... | 12014951 |
| Adenosine A2 receptor | Ki | = | 3600.0 | nM | 5.44 | Inhibition of 5'-(N-ethylcarbamoyl)adenosine-elicited stimulation of adenylate c... | 3346878 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12014951 | 10.1021/jm0104318 | Adenosine receptor A2b | 1 |
| 3346878 | 10.1021/jm00398a020 | Adenosine receptor A1 | 1 |
| 3346878 | 10.1021/jm00398a020 | Adenosine A2 receptor | 1 |
| 3346878 | 10.1021/jm00398a020 | Adenosine receptors; A1 & A2 | 1 |
Data from ChEMBL 36 via Core Engine