Compound Detail
CHEMBL2435536
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Basic Information
| ChEMBL ID | CHEMBL2435536 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NBDZJHFQOKDBRI-UHFFFAOYSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
339.4
MW (Da)
4.76
ALogP
3
HBA
0
HBD
39.1
PSA (Ų)
0.39
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.39
Ki 1 meas. best 6.79
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adenosine receptor A1 CHEMBL226 | Ki | 6.79 | 6.79 | 161.5 | 1 |
| Adenosine receptor A1 CHEMBL226 | IC50 | 6.39 | 6.39 | 404.2 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adenosine receptor A1 | Ki | = | 161.5 | nM | 6.79 | Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cell... | 24077183 |
| Adenosine receptor A1 | IC50 | = | 404.2 | nM | 6.39 | Antagonist activity at human recombinant adenosine A1 receptor expressed in CHO ... | 24077183 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24077183 | 10.1016/j.ejmech.2013.09.001 | Adenosine receptor A1 | 4 |
| 24077183 | 10.1016/j.ejmech.2013.09.001 | Adenosine receptor A2a | 2 |
| 24077183 | 10.1016/j.ejmech.2013.09.001 | CHO | 1 |
| 24077183 | 10.1016/j.ejmech.2013.09.001 | Adenosine receptor A3 | 1 |
Data from ChEMBL 36 via Core Engine