Compound Detail
CHEMBL445974
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Basic Information
| ChEMBL ID | CHEMBL445974 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BLZBVHFRNUTFCH-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
193.2
MW (Da)
-0.21
ALogP
6
HBA
2
HBD
89.8
PSA (Ų)
0.70
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 5.41
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adenosine receptor A2a CHEMBL251 | Ki | 5.41 | 5.41 | 3900.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adenosine receptor A2a | Ki | = | 3900.0 | nM | 5.41 | Displacement of [3H]NECA from human adenosine A2A receptor expressed in CHO cell... | 19282184 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19282184 | 10.1016/j.bmc.2009.02.030 | Adenosine receptor A1 | 1 |
| 19282184 | 10.1016/j.bmc.2009.02.030 | Adenosine receptor A2a | 1 |
| 19282184 | 10.1016/j.bmc.2009.02.030 | Adenosine receptor A2b | 1 |
| 19282184 | 10.1016/j.bmc.2009.02.030 | Adenosine receptor A3 | 1 |
| 222906 | 10.1021/jm00191a010 | Vesicular stomatitis virus | 1 |
| 222906 | 10.1021/jm00191a010 | Vaccinia virus | 1 |
Data from ChEMBL 36 via Core Engine