Compound Detail
CHEMBL605246
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Basic Information
| ChEMBL ID | CHEMBL605246 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GDUNTDCJAUFXGG-HETNKJQDSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
401.4
MW (Da)
-0.19
ALogP
10
HBA
5
HBD
162.8
PSA (Ų)
0.37
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 6.68
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adenosine receptor CHEMBL2111386 | Ki | 6.68 | 6.68 | 210.0 | 1 |
| Adenosine receptor A1 CHEMBL318 | Ki | 6.68 | 6.68 | 210.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adenosine receptor A1 | Ki | = | 210.0 | nM | 6.68 | Inhibition of binding of 1 nM N6-[3H]cyclohexyladenosine to adenosine A1 recepto... | 2993623 |
| Adenosine receptor | Ki | = | 210.0 | nM | 6.68 | Ability to inhibit the binding of [3H]N6-phenylisopropyl adenosine to adenosine ... | 2441057 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 2993623 | 10.1021/jm00147a039 | Adenosine receptor A1 | 1 |
| 2441057 | 10.1021/jm00391a046 | Adenosine receptor | 1 |
Data from ChEMBL 36 via Core Engine