Compound Detail
CHEMBL62078
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 | CHEMBL62078 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZLQJUNKKCMQVHA-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
314.8
MW (Da)
4.72
ALogP
3
HBA
1
HBD
42.0
PSA (Ų)
0.76
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 7.75
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adenosine receptor A1 CHEMBL318 | Ki | 7.75 | 7.75 | 18.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adenosine receptor A1 | Ki | = | 18.0 | nM | 7.75 | Displacement of [3H]DPCPX from Adenosine A1 receptor of rat cortical membrane | 11454470 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23526571 | 10.1021/ml300322n | MDA-MB-231 | 2 |
| 11454470 | 10.1016/s0960-894x(01)00356-0 | Adenosine receptor A1 | 1 |
| 11454470 | 10.1016/s0960-894x(01)00356-0 | Adenosine receptor A2a | 1 |
| 11454470 | 10.1016/s0960-894x(01)00356-0 | Adenosine receptor A3 | 1 |
Data from ChEMBL 36 via Core Engine