Compound Detail
CHEMBL7493
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Basic Information
| ChEMBL ID | CHEMBL7493 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SEPNRDBTTGHYTF-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
306.3
MW (Da)
2.26
ALogP
6
HBA
0
HBD
61.4
PSA (Ų)
0.57
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 5.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adenosine receptor A1 CHEMBL226 | Ki | 5.7 | 5.7 | 1995.3 | 1 |
| Adenosine receptor A1 CHEMBL4975 | Ki | 5.69 | 5.69 | 2050.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adenosine receptor A1 | Ki | = | 1995.26 | nM | 5.7 | Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cell... | 16279775 |
| Adenosine receptor A1 | Ki | = | 2050.0 | nM | 5.69 | Displacement of [3H]CHA from adenosine A1 receptors was determined in bovine cor... | 11462973 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11462973 | 10.1021/jm001054m | Adenosine receptor A1 | 1 |
| 11462973 | 10.1021/jm001054m | Adenosine receptor A2a | 1 |
| 10633040 | 10.1021/jm991131h | GABA-A receptor; anion channel | 1 |
| 16279775 | 10.1021/jm050407k | Adenosine receptor A1 | 1 |
Data from ChEMBL 36 via Core Engine