Compound Detail
CHEMBL198326
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Basic Information
| ChEMBL ID | CHEMBL198326 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YUDXEGJAVVVIFR-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
377.4
MW (Da)
0.82
ALogP
9
HBA
2
HBD
145.2
PSA (Ų)
0.59
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 7.75
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adenosine receptor A2b CHEMBL255 | Ki | 7.75 | 7.75 | 18.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adenosine receptor A2b | Ki | = | 18.0 | nM | 7.75 | Antagonist activity against human Adenosine A2b receptor | 16250640 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16250640 | 10.1021/jm049418o | Adenosine receptor A2b | 1 |
Data from ChEMBL 36 via Core Engine