Compound Detail
CHEMBL82417
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 | CHEMBL82417 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PHSVHWIHVRHART-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
346.5
MW (Da)
3.98
ALogP
5
HBA
1
HBD
55.6
PSA (Ų)
0.77
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 8.21
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adenosine receptor A1 CHEMBL2304404 | Ki | 8.21 | 8.21 | 6.1 | 1 |
| Adenosine A2 receptor CHEMBL2094117 | Ki | 5.7 | 5.7 | 2000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adenosine receptor A1 | Ki | = | 6.1 | nM | 8.21 | Binding affinity against Adenosine A1 receptor from guinea pig forebrain membran... | 8355252 |
| Adenosine A2 receptor | Ki | = | 2000.0 | nM | 5.7 | Binding affinity at Adenosine A2 receptor from rat striatal membranes by N-[3H] ... | 8355252 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8355252 | 10.1021/jm00069a009 | Rattus norvegicus | 11 |
| 8355252 | 10.1021/jm00069a009 | Mus musculus | 9 |
| 8355252 | 10.1021/jm00069a009 | Adenosine receptor A1 | 1 |
| 8355252 | 10.1021/jm00069a009 | Adenosine A2 receptor | 1 |
| 8355252 | 10.1021/jm00069a009 | Adenosine receptors; A1 & A2 | 1 |
Data from ChEMBL 36 via Core Engine