Compound Detail
CHEMBL416354
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Basic Information
| ChEMBL ID | CHEMBL416354 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IFVBJMJLUJWSRR-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
292.3
MW (Da)
1.20
ALogP
7
HBA
2
HBD
104.2
PSA (Ų)
0.51
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 8.04
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adenosine receptor A1 CHEMBL4975 | Ki | 8.04 | 8.04 | 9.2 | 1 |
| Adenosine receptor A2a CHEMBL251 | Ki | 7.73 | 7.73 | 18.7 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adenosine receptor A1 | Ki | = | 9.2 | nM | 8.04 | Binding affinity towards adenosine A1 receptor of bovine brain membrane in prese... | 10737748 |
| Adenosine receptor A2a | Ki | = | 18.7 | nM | 7.73 | Binding affinity towards Adenosine A2A receptor of bovine striatal membrane usin... | 10737748 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10737748 | 10.1021/jm991096e | Adenosine receptor A1 | 1 |
| 10737748 | 10.1021/jm991096e | Adenosine receptor A2a | 1 |
| 10737748 | 10.1021/jm991096e | Adenosine receptor A3 | 1 |
Data from ChEMBL 36 via Core Engine