Compound Detail
CHEMBL514196
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL514196 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CYELEEUSIXQPPK-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
279.3
MW (Da)
0.72
ALogP
6
HBA
1
HBD
85.0
PSA (Ų)
0.56
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 6.84
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adenosine receptor A1 CHEMBL4975 | Ki | 6.84 | 6.84 | 145.0 | 1 |
| Adenosine receptor A3 CHEMBL256 | Ki | 6.6 | 6.6 | 251.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adenosine receptor A1 | Ki | = | 145.0 | nM | 6.84 | Displacement of [3H]DPCPX from bovine brain cortical membrane adenosine A1 recep... | 19301821 |
| Adenosine receptor A3 | Ki | = | 251.0 | nM | 6.6 | Displacement of [125I]AB-MECA from human cloned adenosine A3 receptor expressed ... | 19301821 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19301821 | 10.1021/jm8014876 | Adenosine receptor A3 | 1 |
| 19301821 | 10.1021/jm8014876 | Adenosine receptor A2a | 1 |
| 19301821 | 10.1021/jm8014876 | Adenosine receptor A1 | 1 |
| 19301821 | 10.1021/jm8014876 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine