Compound Detail
CHEMBL351246
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Basic Information
| ChEMBL ID | CHEMBL351246 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XGGWLMSCLLZCNQ-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
285.3
MW (Da)
2.27
ALogP
5
HBA
0
HBD
57.5
PSA (Ų)
0.81
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 5.16
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adenosine receptor A2a CHEMBL302 | Ki | 5.16 | 5.16 | 6980.0 | 1 |
| Adenosine receptor A1 CHEMBL318 | Ki | 5.12 | 5.12 | 7590.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adenosine receptor A2a | Ki | = | 6980.0 | nM | 5.16 | Affinity at Adenosine A2A receptor in rat striatal membranes by [3H]- CGS 21680 ... | 8576921 |
| Adenosine receptor A1 | Ki | = | 7590.0 | nM | 5.12 | Displacement of specific [3H]PIA binding from adenosine A1 receptor in rat brain... | 8576921 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8576921 | 10.1021/jm950661k | Adenosine receptor A1 | 1 |
| 8576921 | 10.1021/jm950661k | Adenosine receptor A2a | 1 |
| 8576921 | 10.1021/jm950661k | Adenosine receptor A3 | 1 |
Data from ChEMBL 36 via Core Engine