Compound Detail
CHEMBL3966780
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Basic Information
| ChEMBL ID | CHEMBL3966780 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BRYAHHOYXGGFHQ-OTVXOJSOSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
306.4
MW (Da)
4.62
ALogP
3
HBA
2
HBD
53.6
PSA (Ų)
0.74
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 1 meas. best 8.03
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adenosine receptor A1 CHEMBL226 | Kd | 8.03 | 8.03 | 9.4 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adenosine receptor A1 | Kd | = | 9.402 | nM | 8.03 | The A1-StaR receptor has been purified from membranes in n-decyl-beta-D-maltosid... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.6019/CHEMBL3885741 | Adenosine receptor A1 | 3 |
| - | 10.6019/CHEMBL3885741 | Adenosine receptor A2a | 2 |
Data from ChEMBL 36 via Core Engine