Compound Detail
CHEMBL187842
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Basic Information
| ChEMBL ID | CHEMBL187842 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GPZDEXVCMNVCGO-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
277.4
MW (Da)
3.86
ALogP
4
HBA
1
HBD
30.7
PSA (Ų)
0.54
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 6.66
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adenosine receptor A3 CHEMBL256 | Ki | 6.66 | 6.66 | 220.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adenosine receptor A3 | Ki | = | 220.0 | nM | 6.66 | Inhibition of [3H]MRE3008-F20 binding to human adenosine A3 receptor expressed i... | 16033279 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16033279 | 10.1021/jm050125k | Adenosine receptor A1 | 2 |
| 16033279 | 10.1021/jm050125k | Adenosine receptor A2a | 2 |
| 16033279 | 10.1021/jm050125k | Adenosine receptor A2b | 2 |
| 16033279 | 10.1021/jm050125k | Adenosine receptor A3 | 1 |
Data from ChEMBL 36 via Core Engine