Compound Detail
CHEMBL1775009
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Basic Information
| ChEMBL ID | CHEMBL1775009 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VJUPMOPLUQHMLE-UUOKFMHZSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
11
Publications
0
Known Names
Molecular Properties
346.1
MW (Da)
-1.22
ALogP
9
HBA
4
HBD
139.5
PSA (Ų)
0.50
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 4.64
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adenosine receptor A2a CHEMBL302 | Ki | 4.64 | 4.64 | 22700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adenosine receptor A2a | Ki | = | 22700.0 | nM | 4.64 | Binding affinity to adenosine A2A receptor in rat striatal membranes by measurin... | 7707320 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 3862866 | 10.1021/jm00148a018 | Erythroleukemia cell line | 6 |
| 966249 | 10.1021/jm00230a011 | Unchecked | 2 |
| 6279840 | 10.1021/jm00345a001 | Adenosine receptor A1 | 1 |
| 6279840 | 10.1021/jm00345a001 | Adenosine A2 receptor | 1 |
| 6279840 | 10.1021/jm00345a001 | Adenosine receptor | 1 |
| 7707320 | 10.1021/jm00007a014 | Adenosine receptor A1 | 1 |
| 7707320 | 10.1021/jm00007a014 | Adenosine receptor A2a | 1 |
| 7707320 | 10.1021/jm00007a014 | Adenosine receptor A3 | 1 |
| 21528845 | 10.1021/jm1013852 | NAD-dependent protein deacetylase sirtuin-1 | 1 |
| 21528845 | 10.1021/jm1013852 | NAD-dependent protein deacetylase sirtuin-2 | 1 |
| 38318365 | 10.1016/j.isci.2024.108907 | Deoxynucleoside triphosphate triphosphohydrolase SAMHD1 | 1 |
Data from ChEMBL 36 via Core Engine