Compound Detail
CHEMBL389040
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Basic Information
| ChEMBL ID | CHEMBL389040 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KFVNLZHVGOLGOY-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
346.4
MW (Da)
3.34
ALogP
8
HBA
1
HBD
98.8
PSA (Ų)
0.59
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 6.94
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adenosine receptor A2b CHEMBL255 | Ki | 6.94 | 6.94 | 115.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adenosine receptor A2b | Ki | = | 115.0 | nM | 6.94 | Displacement of [3H]DPCPX from human A2B receptor expressed in HEK293 cells | 17469811 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17469811 | 10.1021/jm061333v | Adenosine receptor A2a | 2 |
| 17469811 | 10.1021/jm061333v | Adenosine receptor A3 | 2 |
| 17469811 | 10.1021/jm061333v | Adenosine receptor A1 | 2 |
| 17469811 | 10.1021/jm061333v | Adenosine receptor A2b | 1 |
Data from ChEMBL 36 via Core Engine