Compound Detail
CHEMBL554275
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Basic Information
| ChEMBL ID | CHEMBL554275 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NBTBBHGGBPCDGS-NVMQTXNBSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
285.7
MW (Da)
-0.23
ALogP
8
HBA
3
HBD
105.3
PSA (Ų)
0.65
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 7.43
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adenosine receptor A3 CHEMBL256 | Ki | 7.43 | 7.43 | 37.5 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adenosine receptor A3 | Ki | = | 37.5 | nM | 7.43 | Displacement of [3H]I-AB-MECA from human recombinant adenosine A3 receptor expre... | 19375920 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19375920 | 10.1016/j.bmc.2009.03.034 | Adenosine receptor A3 | 1 |
| 19375920 | 10.1016/j.bmc.2009.03.034 | Adenosine receptor A1 | 1 |
| 19375920 | 10.1016/j.bmc.2009.03.034 | Adenosine receptor A2a | 1 |
Data from ChEMBL 36 via Core Engine