Compound Detail
CHEMBL345983
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Basic Information
| ChEMBL ID | CHEMBL345983 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BNEBFYBXUAPCQU-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
279.3
MW (Da)
0.73
ALogP
6
HBA
2
HBD
98.7
PSA (Ų)
0.84
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 5.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adenosine receptor A1 CHEMBL2304404 | Ki | 5.52 | 5.52 | 3000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adenosine receptor A1 | Ki | = | 3000.0 | nM | 5.52 | Binding affinity carried out with [3H]cyclohexyladenosine in guinea pig forebrai... | 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