Compound Detail
CHEMBL359066
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Basic Information
| ChEMBL ID | CHEMBL359066 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WAKCZXOWEGJALQ-UHFFFAOYSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
448.5
MW (Da)
3.05
ALogP
7
HBA
1
HBD
106.8
PSA (Ų)
0.58
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.78
Kd 1 meas. best 9.49
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adenosine receptor A1 CHEMBL226 | Kd | 9.49 | 9.49 | 0.3 | 1 |
| Adenosine receptor A1 CHEMBL226 | IC50 | 6.78 | 6.78 | 165.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adenosine receptor A1 | Kd | = | 0.32 | nM | 9.49 | Dissociation constant of [3H]DPCPX binding to adenosine A1 receptor (AR) at 200 ... | 11150167 |
| Adenosine receptor A1 | IC50 | = | 165.0 | nM | 6.78 | Inhibition of [3H]-DPCPX binding to adenosine A1 receptor (AR). | 11150167 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11150167 | 10.1021/jm000181f | Adenosine receptor A1 | 3 |
| 11150167 | 10.1021/jm000181f | Adenosine receptor A2a | 1 |
Data from ChEMBL 36 via Core Engine