Compound Detail
CHEMBL1935751
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Basic Information
| ChEMBL ID | CHEMBL1935751 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BVFLIOSLDNOXBH-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
374.4
MW (Da)
2.92
ALogP
8
HBA
2
HBD
115.2
PSA (Ų)
0.50
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 6.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adenosine receptor A3 CHEMBL256 | Ki | 6.96 | 6.96 | 111.0 | 1 |
| Adenosine receptor A1 CHEMBL226 | Ki | 6.45 | 6.45 | 355.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adenosine receptor A3 | Ki | = | 111.0 | nM | 6.96 | Displacement of [3H]-MRE-3008-F20 from human adenosine A3 receptor expressed in ... | 22204739 |
| Adenosine receptor A1 | Ki | = | 355.0 | nM | 6.45 | Displacement of [3H]-DPCPX from human adenosine A1 receptor expressed in CHO cel... | 22204739 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22204739 | 10.1016/j.bmc.2011.11.037 | Adenosine receptor A2a | 2 |
| 22204739 | 10.1016/j.bmc.2011.11.037 | Adenosine receptor A3 | 2 |
| 22204739 | 10.1016/j.bmc.2011.11.037 | Adenosine receptor A1 | 1 |
| 22204739 | 10.1016/j.bmc.2011.11.037 | Adenosine receptor A2b | 1 |
Data from ChEMBL 36 via Core Engine