Compound Detail
CHEMBL2165799
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Basic Information
| ChEMBL ID | CHEMBL2165799 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SGXSQJCDFWYGRN-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
382.4
MW (Da)
4.06
ALogP
5
HBA
1
HBD
81.8
PSA (Ų)
0.51
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 8.89
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adenosine receptor A2a CHEMBL251 | Ki | 8.89 | 8.89 | 1.3 | 1 |
| Adenosine receptor A1 CHEMBL226 | Ki | 8.22 | 8.22 | 6.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adenosine receptor A2a | Ki | = | 1.3 | nM | 8.89 | Antagonist activity at human Adenosine receptor A2a assessed as inhibition of cA... | 22239465 |
| Adenosine receptor A1 | Ki | = | 6.0 | nM | 8.22 | Antagonist activity at human Adenosine receptor A1 assessed as inhibition of cAM... | 22239465 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22239465 | 10.1021/jm201640m | Mus musculus | 1 |
| 22239465 | 10.1021/jm201640m | Adenosine receptor A1 | 1 |
| 22239465 | 10.1021/jm201640m | Adenosine receptor A2a | 1 |
Data from ChEMBL 36 via Core Engine