Compound Detail
CHEMBL342782
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Basic Information
| ChEMBL ID | CHEMBL342782 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KCKCLVOXBVFOGG-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
396.5
MW (Da)
3.26
ALogP
6
HBA
1
HBD
81.9
PSA (Ų)
0.63
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 6.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adenosine receptor A1 CHEMBL2304404 | Ki | 6.6 | 6.6 | 250.0 | 1 |
| Adenosine A2 receptor CHEMBL2094117 | Ki | 5.66 | 5.66 | 2200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adenosine receptor A1 | Ki | = | 250.0 | nM | 6.6 | Binding affinity carried out with [3H]cyclohexyladenosine in guinea pig forebrai... | 1992150 |
| Adenosine A2 receptor | Ki | = | 2200.0 | nM | 5.66 | Inhibition of [3H]5'-(N-ethylcarbamoyl)-adenosine binding to adenosine A2 recept... | 1992150 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 1992150 | 10.1021/jm00105a072 | Adenosine receptor A1 | 1 |
| 1992150 | 10.1021/jm00105a072 | Adenosine A2 receptor | 1 |
| 1992150 | 10.1021/jm00105a072 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine