Compound Detail
CHEMBL4547939
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Basic Information
| ChEMBL ID | CHEMBL4547939 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WMXHNXPSILDIMB-UXBLZVDNSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
268.3
MW (Da)
2.63
ALogP
4
HBA
3
HBD
77.8
PSA (Ų)
0.55
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 6.47
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adenosine receptor A1 CHEMBL318 | Ki | 6.47 | 6.415 | 339.0 | 2 |
| Adenosine receptor A2a CHEMBL302 | Ki | 6.04 | 6.04 | 903.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adenosine receptor A1 | Ki | = | 339.0 | nM | 6.47 | Displacement of [3H]DPCPX from adenosine A1 receptor in rat brain membranes in p... | 30881617 |
| Adenosine receptor A1 | Ki | = | 435.0 | nM | 6.36 | Displacement of [3H]DPCPX from adenosine A1 receptor in rat brain membranes by r... | 30881617 |
| Adenosine receptor A2a | Ki | = | 903.0 | nM | 6.04 | Displacement of [3H]NECA from adenosine A2A receptor in rat striatal membranes b... | 30881617 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30881617 | 10.1039/C8MD00540K | Adenosine receptor A1 | 3 |
| 30881617 | 10.1039/C8MD00540K | Adenosine receptor A2a | 1 |
| 30881617 | 10.1039/C8MD00540K | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine