Compound Detail
CHEMBL610407
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Basic Information
| ChEMBL ID | CHEMBL610407 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SUFRPGTWZQQKIL-FJFSNTMWSA-N |
3
Targets
3
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
377.8
MW (Da)
0.83
ALogP
9
HBA
4
HBD
125.5
PSA (Ų)
0.49
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 8.12
IC50 1 meas. best 5.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adenosine receptor A1 CHEMBL318 | Ki | 8.12 | 8.12 | 7.6 | 1 |
| Unchecked CHEMBL612545 | IC50 | 5.8 | 5.8 | 1600.0 | 1 |
| Adenosine A2 receptor CHEMBL2094117 | Ki | 5.77 | 5.77 | 1700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adenosine receptor A1 | Ki | = | 7.6 | nM | 8.12 | Inhibition of [3H]- (R)-P1A binding to adenosine A1 receptor | 1766003 |
| Unchecked | IC50 | = | 1600.0 | nM | 5.8 | Effective concentration against A2AR mediated P12 adenylatencyclase activity | 1766003 |
| Adenosine A2 receptor | Ki | = | 1700.0 | nM | 5.77 | Inhibition of [3H]- NECA binding to adenosine receptor A2 | 1766003 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 1766003 | 10.1021/jm00116a007 | Adenosine receptor A1 | 1 |
| 1766003 | 10.1021/jm00116a007 | Adenosine A2 receptor | 1 |
| 1766003 | 10.1021/jm00116a007 | Unchecked | 1 |
| 1766003 | 10.1021/jm00116a007 | Adenosine receptors; A1 & A2a | 1 |
Data from ChEMBL 36 via Core Engine