Compound Detail
CHEMBL609650
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Basic Information
| ChEMBL ID | CHEMBL609650 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DSKWJMPYHQTWFI-AARXTDBFSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
359.3
MW (Da)
-0.11
ALogP
10
HBA
5
HBD
145.8
PSA (Ų)
0.43
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adenosine receptor A1 CHEMBL2114 | IC50 | 7.96 | 7.96 | 11.1 | 1 |
| Adenosine A2 receptor CHEMBL2094117 | IC50 | 5.12 | 5.12 | 7640.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adenosine receptor A1 | IC50 | = | 11.1 | nM | 7.96 | Binding affinity for Adenosine A1 receptor using [125I]-ABA in chick cerebellar ... | 3572985 |
| Adenosine A2 receptor | IC50 | = | 7640.0 | nM | 5.12 | Displacement of [3H]-NECA from adenosine A2 receptor of rat striatal membrane | 3572985 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 3572985 | 10.1021/jm00388a039 | Adenosine receptor A1 | 1 |
| 3572985 | 10.1021/jm00388a039 | Adenosine A2 receptor | 1 |
| 3572985 | 10.1021/jm00388a039 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine