Compound Detail
CHEMBL3222061
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 | CHEMBL3222061 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KYXCXHCFXDUHNI-UHFFFAOYSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
350.4
MW (Da)
3.76
ALogP
6
HBA
1
HBD
68.2
PSA (Ų)
0.78
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 8.18
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adenosine receptor A2a CHEMBL251 | Ki | 8.18 | 8.18 | 6.6 | 2 |
| Adenosine receptor A1 CHEMBL226 | Ki | 6.54 | 6.54 | 290.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adenosine receptor A2a | Ki | = | 6.6 | nM | 8.18 | Antagonist activity at human adenosine A2A receptor expressed in CHO-K1 cells pr... | - |
| Adenosine receptor A2a | Ki | = | 6.6 | nM | 8.18 | Antagonist activity at human recombinant adenosine receptor A2a by cAMP assay | 24164628 |
| Adenosine receptor A1 | Ki | = | 290.0 | nM | 6.54 | Antagonist activity at human adenosine A1 receptor expressed in CHO-K1 cells pre... | - |
| Adenosine receptor A1 | Ki | = | 290.0 | nM | 6.54 | Antagonist activity at human recombinant adenosine A1 receptor by cAMP assay | 24164628 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1039/C1MD00082A | Adenosine receptor A2a | 1 |
| - | 10.1039/C1MD00082A | Adenosine receptor A1 | 1 |
| - | 10.1039/C1MD00082A | Mus musculus | 1 |
| 24164628 | 10.1021/jm4011669 | Adenosine receptor A2b | 1 |
| 24164628 | 10.1021/jm4011669 | Adenosine receptor A2a | 1 |
| 24164628 | 10.1021/jm4011669 | Adenosine receptor A3 | 1 |
| 24164628 | 10.1021/jm4011669 | Adenosine receptor A1 | 1 |
| 24164628 | 10.1021/jm4011669 | Mus musculus | 1 |
Data from ChEMBL 36 via Core Engine