Compound Detail
CHEMBL442333
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 | CHEMBL442333 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SLVRVRBSUMQWAC-UHFFFAOYSA-N |
5
Targets
5
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
328.4
MW (Da)
5.46
ALogP
3
HBA
2
HBD
53.6
PSA (Ų)
0.52
QED
1
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 5 meas. best 7.64
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adenosine receptor A1 CHEMBL4975 | Ki | 7.64 | 7.64 | 23.0 | 1 |
| Adenosine receptor A1 CHEMBL318 | Ki | 6.64 | 6.64 | 230.0 | 1 |
| Adenosine receptor A3 CHEMBL256 | Ki | 6.11 | 6.11 | 786.0 | 1 |
| Adenosine receptor A2a CHEMBL251 | Ki | 5.5 | 5.5 | 3150.0 | 1 |
| Adenosine receptor A1 CHEMBL226 | Ki | 5.47 | 5.47 | 3420.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adenosine receptor A1 | Ki | = | 23.0 | nM | 7.64 | Displacement of [3H]CPX from adenosine A1 receptor of calf brain cortical membra... | 2002461 |
| Adenosine receptor A1 | Ki | = | 230.0 | nM | 6.64 | Displacement of [3H]CPX from adenosine A1 receptor of rat brain cortical membran... | 2002461 |
| Adenosine receptor A3 | Ki | = | 786.0 | nM | 6.11 | Displacement of [125I]I-AB-MECA from human adenosine A3 receptor in CHO membrane | 16722654 |
| Adenosine receptor A2a | Ki | = | 3150.0 | nM | 5.5 | Displacement of [3H]R-PIA from human adenosine A2A receptor in HEK293 cells | 16722654 |
| Adenosine receptor A1 | Ki | = | 3420.0 | nM | 5.47 | Displacement of [3H]R-PIA from human adenosine A1 receptor in CHO membrane | 16722654 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16722654 | 10.1021/jm060086s | Adenosine receptor A3 | 4 |
| 2002461 | 10.1021/jm00107a046 | Adenosine receptor A1 | 2 |
| 2002461 | 10.1021/jm00107a046 | Adenosine A2 receptor | 1 |
| 2002461 | 10.1021/jm00107a046 | Adenosine receptors; A1 & A2 | 1 |
| 16722654 | 10.1021/jm060086s | Adenosine receptor A2a | 1 |
| 16722654 | 10.1021/jm060086s | Adenosine receptor A2b | 1 |
| 16722654 | 10.1021/jm060086s | Adenosine receptor A1 | 1 |
Data from ChEMBL 36 via Core Engine