Compound Detail
CHEMBL566158
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Basic Information
| ChEMBL ID | CHEMBL566158 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VSQWABCZDXEESX-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
240.3
MW (Da)
1.50
ALogP
5
HBA
3
HBD
92.5
PSA (Ų)
0.64
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 5.18
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | Ki | 5.18 | 4.83 | 6670.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | Ki | = | 6670.0 | nM | 5.18 | Displacement of [3H]adenine from adenine 1 receptor in rat brain cortical membra... | 19731917 |
| Unchecked | Ki | = | 32900.0 | nM | 4.48 | Displacement of [3H]adenine from adenine 1 receptor in HEK293 cells by liquid sc... | 19731917 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19731917 | 10.1021/jm9006356 | Unchecked | 3 |
Data from ChEMBL 36 via Core Engine