Compound Detail
CHEMBL178584
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 | CHEMBL178584 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UWHWGZQVQROQEV-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
259.3
MW (Da)
3.30
ALogP
3
HBA
1
HBD
51.8
PSA (Ų)
0.57
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 7.95
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adenosine receptor A2a CHEMBL251 | Ki | 7.95 | 7.95 | 11.2 | 1 |
| Unchecked CHEMBL612545 | Ki | 7.95 | 7.95 | 11.2 | 1 |
| Adenosine receptor A1 CHEMBL226 | Ki | 7.87 | 7.87 | 13.4 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | Ki | = | 11.2 | nM | 7.95 | Inhibition constant against Adenosine A2a receptor | 15713381 |
| Adenosine receptor A2a | Ki | = | 11.2 | nM | 7.95 | Displacement of [3H]SCH-58261 from A2A adenosine receptor (unknown origin) expre... | 35068155 |
| Adenosine receptor A1 | Ki | = | 13.44 | nM | 7.87 | Displacement of [3H]DPCPX from A1 adenosine receptor (unknown origin) expressed ... | 35068155 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15713381 | 10.1016/j.bmcl.2005.01.019 | Unchecked | 1 |
| 15713381 | 10.1016/j.bmcl.2005.01.019 | Adenosine receptors; A1 & A2a | 1 |
| 35068155 | 10.1021/acs.jmedchem.1c01636 | Adenosine receptor A2a | 1 |
| 35068155 | 10.1021/acs.jmedchem.1c01636 | Adenosine receptor A1 | 1 |
Data from ChEMBL 36 via Core Engine