Compound Detail
CHEMBL7953
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Basic Information
| ChEMBL ID | CHEMBL7953 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AUBOCXZLRUANFR-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
268.3
MW (Da)
2.71
ALogP
6
HBA
1
HBD
63.3
PSA (Ų)
0.58
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 6.97
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| GABA-A receptor; anion channel CHEMBL2094107 | Ki | 6.97 | 6.97 | 107.0 | 1 |
| Adenosine receptor A1 CHEMBL4975 | Ki | 6.92 | 6.92 | 119.0 | 1 |
| Adenosine receptor A2a CHEMBL251 | Ki | 5.3 | 5.3 | 5000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| GABA-A receptor; anion channel | Ki | = | 107.0 | nM | 6.97 | Displacement of [3H]- Ro.15-1788 from GABA-A central Benzodiazepine receptor (Bz... | 10633040 |
| Adenosine receptor A1 | Ki | = | 119.0 | nM | 6.92 | Displacement of [3H]CHA from adenosine A1 receptors was determined in bovine cor... | 11462973 |
| Adenosine receptor A2a | Ki | = | 5000.0 | nM | 5.3 | Displacement of [3H]-CGS- 21680 from adenosine A2a receptor of bovine striatal m... | 11462973 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10633040 | 10.1021/jm991131h | GABA-A receptor; anion channel | 3 |
| 11462973 | 10.1021/jm001054m | Adenosine receptor A1 | 1 |
| 11462973 | 10.1021/jm001054m | Adenosine receptor A2a | 1 |
Data from ChEMBL 36 via Core Engine