Compound Detail
CHEMBL608742
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Basic Information
| ChEMBL ID | CHEMBL608742 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CJMVPIJWNVHZBW-XPELVCMNSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
377.4
MW (Da)
-0.26
ALogP
10
HBA
5
HBD
145.8
PSA (Ų)
0.49
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 7.46
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adenosine receptor A1 CHEMBL318 | Ki | 7.46 | 7.46 | 35.0 | 1 |
| Adenosine A2 receptor CHEMBL2094117 | Ki | 4.1 | 4.1 | 80000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adenosine receptor A1 | Ki | = | 35.0 | nM | 7.46 | Affinity for Adenosine A1 receptor determined by [3H]N6-cyclohexyladenosine bind... | - |
| Adenosine A2 receptor | Ki | = | 80000.0 | nM | 4.1 | Affinity for Adenosine A2 receptor determined by [3H]NECA binding to rat striata... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/S0960-894X(01)81110-0 | Adenosine receptor A1 | 1 |
| - | 10.1016/S0960-894X(01)81110-0 | Adenosine A2 receptor | 1 |
| - | 10.1016/S0960-894X(01)81110-0 | Adenosine receptors; A1 & A2 | 1 |
Data from ChEMBL 36 via Core Engine