Compound Detail
CHEMBL266161
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Basic Information
| ChEMBL ID | CHEMBL266161 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LKQWIGZXIXDTBK-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
427.5
MW (Da)
1.07
ALogP
8
HBA
2
HBD
128.1
PSA (Ų)
0.47
QED
0
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 8.5
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adenosine receptor A1 CHEMBL4975 | Ki | 8.5 | 8.5 | 3.2 | 1 |
| Adenosine receptor A1 CHEMBL318 | Ki | 6.58 | 6.58 | 266.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adenosine receptor A1 | Ki | = | 3.17 | nM | 8.5 | Affinity for Adenosine A1 receptor using [125I]APNEA in calf brain. | 2709373 |
| Adenosine receptor A1 | Ki | = | 266.0 | nM | 6.58 | Affinity for A1 adenosine receptor using [3H]-N6 -(phenylisopropyl)-adenosine (R... | 2709373 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 2709373 | 10.1021/jm00125a019 | Adenosine receptor A1 | 3 |
Data from ChEMBL 36 via Core Engine