Compound Detail
CHEMBL183181
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 | CHEMBL183181 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MUBQTNOOAXJJSD-UHFFFAOYSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
345.4
MW (Da)
2.23
ALogP
7
HBA
2
HBD
102.5
PSA (Ų)
0.54
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 7.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adenosine receptor A2a CHEMBL302 | Ki | 7.92 | 7.92 | 12.0 | 2 |
| Adenosine receptor A1 CHEMBL318 | Ki | 7.39 | 7.39 | 40.8 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adenosine receptor A2a | Ki | = | 12.0 | nM | 7.92 | Binding affinity towards Adenosine A2A receptor of rat brain tissues using [3H]Z... | 15664803 |
| Adenosine receptor A2a | Ki | = | 12.0 | nM | 7.92 | Inhibition of rat recombinant adenosine receptor A2a | 24164628 |
| Adenosine receptor A1 | Ki | = | 41.0 | nM | 7.39 | Binding affinity towards Adenosine A1 receptor of rat cerebral cortex using [3H]... | 15664803 |
| Adenosine receptor A1 | Ki | = | 40.8 | nM | 7.39 | Inhibition of rat recombinant adenosine A1 receptor | 24164628 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15664803 | 10.1016/j.bmcl.2004.11.062 | Adenosine receptor A2a | 1 |
| 15664803 | 10.1016/j.bmcl.2004.11.062 | Adenosine receptor A1 | 1 |
| 15664803 | 10.1016/j.bmcl.2004.11.062 | Adenosine receptors; A1 & A2a | 1 |
| 24164628 | 10.1021/jm4011669 | Adenosine receptor A2b | 1 |
| 24164628 | 10.1021/jm4011669 | Adenosine receptor A3 | 1 |
| 24164628 | 10.1021/jm4011669 | Adenosine receptor A2a | 1 |
| 24164628 | 10.1021/jm4011669 | Adenosine receptor A1 | 1 |
| 24164628 | 10.1021/jm4011669 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine