Compound Detail
CHEMBL261177
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Basic Information
| ChEMBL ID | CHEMBL261177 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DVMXMPFGPAWRLB-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
437.5
MW (Da)
1.95
ALogP
8
HBA
1
HBD
109.4
PSA (Ų)
0.65
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 8.44
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adenosine receptor A2a CHEMBL251 | Ki | 8.44 | 8.44 | 3.6 | 1 |
| Adenosine receptor A2a CHEMBL302 | Ki | 6.77 | 6.77 | 170.0 | 1 |
| Adenosine receptor A1 CHEMBL226 | Ki | 6.27 | 6.27 | 540.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adenosine receptor A2a | Ki | = | 3.6 | nM | 8.44 | Displacement of [3H]-ZM 241385 from human adenosine A2A receptor expressed in HE... | 18307293 |
| Adenosine receptor A2a | Ki | = | 170.0 | nM | 6.77 | Displacement of [3H]-ZM 241385 from rat adenosine A2A receptor expressed in CHO ... | 18307293 |
| Adenosine receptor A1 | Ki | = | 540.0 | nM | 6.27 | Displacement of [3H]-DPCPX from human adenosine A1 receptor expressed in HEK293 ... | 18307293 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18307293 | 10.1021/jm701187w | Adenosine receptor A2a | 2 |
| 18307293 | 10.1021/jm701187w | Adenosine receptor A1 | 1 |
| 18307293 | 10.1021/jm701187w | Unchecked | 1 |
| 18307293 | 10.1021/jm701187w | Voltage-gated inwardly rectifying potassium channel KCNH2 | 1 |
Data from ChEMBL 36 via Core Engine