Compound Detail
CHEMBL26406
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 | CHEMBL26406 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YAUBCZNTZIWFJS-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
246.3
MW (Da)
0.27
ALogP
6
HBA
0
HBD
61.8
PSA (Ų)
0.73
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 5.47
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adenosine receptor A2b CHEMBL255 | Ki | 5.47 | 5.47 | 3390.0 | 1 |
| Adenosine receptor A2a CHEMBL2605 | Ki | 5.4 | 5.4 | 4000.0 | 1 |
| Adenosine receptor A1 CHEMBL318 | Ki | 4.75 | 4.75 | 18000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adenosine receptor A2b | Ki | = | 3390.0 | nM | 5.47 | Binding affinity at human Adenosine A2B receptor expressed in HEK293 cells, usin... | 12014951 |
| Adenosine receptor A2a | Ki | = | 4000.0 | nM | 5.4 | Compound was evaluated for its ability to antagonise cyclic [3H]AMP accumulation... | 3806581 |
| Adenosine receptor A1 | Ki | = | 18000.0 | nM | 4.75 | Ability to inhibit binding of 1 nM [3H]cyclohexyladenosine to adenosine A1 recep... | 3806581 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 3806581 | 10.1021/jm00157a035 | Adenosine receptor A1 | 1 |
| 3806581 | 10.1021/jm00157a035 | Adenosine receptor A2a | 1 |
| 3806581 | 10.1021/jm00157a035 | Unchecked | 1 |
| 12014951 | 10.1021/jm0104318 | Adenosine receptor A2b | 1 |
Data from ChEMBL 36 via Core Engine