Compound Detail
CHEMBL377106
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Basic Information
| ChEMBL ID | CHEMBL377106 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VNXFJFCNDLPYDS-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
379.4
MW (Da)
-1.10
ALogP
8
HBA
3
HBD
139.1
PSA (Ų)
0.51
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 7.01
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adenosine receptor A1 CHEMBL318 | Ki | 7.01 | 7.01 | 98.0 | 1 |
| Adenosine receptor A2b CHEMBL255 | Ki | 6.6 | 6.6 | 250.0 | 1 |
| Adenosine receptor A2a CHEMBL302 | Ki | 6.46 | 6.46 | 347.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adenosine receptor A1 | Ki | = | 98.0 | nM | 7.01 | Displacement of [3H]CCPA from adenosine A1 receptor in rat brain cortical membra... | 16821798 |
| Adenosine receptor A2b | Ki | = | 250.0 | nM | 6.6 | Displacement of [3H]PSB298 from human recombinant adenosine A2B receptor express... | 16821798 |
| Adenosine receptor A2a | Ki | = | 347.0 | nM | 6.46 | Displacement of [3H]MSX2 from adenosine A2A receptor in rat brain striatal membr... | 16821798 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16821798 | 10.1021/jm060277v | Adenosine receptor A3 | 2 |
| 16821798 | 10.1021/jm060277v | Adenosine receptor A2a | 2 |
| 16821798 | 10.1021/jm060277v | Adenosine receptor A1 | 2 |
| 16821798 | 10.1021/jm060277v | Adenosine receptor A2b | 1 |
Data from ChEMBL 36 via Core Engine