Compound Detail
CHEMBL172008
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Basic Information
| ChEMBL ID | CHEMBL172008 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SVQNPWREECHDRI-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
320.4
MW (Da)
1.22
ALogP
8
HBA
1
HBD
98.5
PSA (Ų)
0.76
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 5.27
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adenosine receptor A1 CHEMBL2304404 | Ki | 5.27 | 5.27 | 5400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adenosine receptor A1 | Ki | = | 5400.0 | nM | 5.27 | Binding affinity against adenosine A1 receptor using N6-[3H]cyclohexyladenosine ... | 1548682 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 1548682 | 10.1021/jm00083a018 | Adenosine receptor A1 | 1 |
| 1548682 | 10.1021/jm00083a018 | Adenosine A2 receptor | 1 |
Data from ChEMBL 36 via Core Engine