Compound Detail
CHEMBL268867
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Basic Information
| ChEMBL ID | CHEMBL268867 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WHJVJQUJYOIRNW-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
329.8
MW (Da)
2.60
ALogP
7
HBA
2
HBD
88.5
PSA (Ų)
0.60
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.68
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adenosine receptor A1 CHEMBL318 | IC50 | 7.68 | 7.68 | 21.0 | 1 |
| Adenosine A2 receptor CHEMBL2094117 | IC50 | 7.25 | 7.25 | 56.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adenosine receptor A1 | IC50 | = | 21.0 | nM | 7.68 | Inhibition of binding towards adenosine A1 receptor using [3H]N-cyclohexyladenos... | 3361572 |
| Adenosine A2 receptor | IC50 | = | 56.0 | nM | 7.25 | Inhibition of binding to Adenosine-2 receptor using [3H]NECA in rat striatum | 3361572 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 3361572 | 10.1021/jm00400a022 | Adenosine receptor A1 | 2 |
| 3361572 | 10.1021/jm00400a022 | Adenosine A2 receptor | 1 |
| 3361572 | 10.1021/jm00400a022 | Cavia porcellus | 1 |
Data from ChEMBL 36 via Core Engine