Compound Detail
CHEMBL61259
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Basic Information
| ChEMBL ID | CHEMBL61259 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AXENMZHFYBPHQF-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
263.3
MW (Da)
1.83
ALogP
5
HBA
1
HBD
69.6
PSA (Ų)
0.68
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 7.07
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adenosine receptor A3 CHEMBL256 | Ki | 7.07 | 7.07 | 86.0 | 1 |
| Adenosine receptor A2a CHEMBL251 | Ki | 6.22 | 6.22 | 600.0 | 1 |
| Adenosine receptor A1 CHEMBL226 | Ki | 5.89 | 5.89 | 1280.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adenosine receptor A3 | Ki | = | 86.0 | nM | 7.07 | [3H]NECA saturation binding in CHO cells expressing human Adenosine A3 receptor | 11459663 |
| Adenosine receptor A2a | Ki | = | 600.0 | nM | 6.22 | [3H]NECA saturation binding in CHO cells expressing human recombinant A2A adenos... | 11459663 |
| Adenosine receptor A1 | Ki | = | 1280.0 | nM | 5.89 | Displacement of [3H]-CCPA from CHO cells expressing human recombinant Adenosine ... | 11459663 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11459663 | 10.1016/s0960-894x(01)00347-x | Adenosine receptor A1 | 1 |
| 11459663 | 10.1016/s0960-894x(01)00347-x | Adenosine receptor A2a | 1 |
| 11459663 | 10.1016/s0960-894x(01)00347-x | Adenosine receptor A2b | 1 |
| 11459663 | 10.1016/s0960-894x(01)00347-x | Adenosine receptor A3 | 1 |
Data from ChEMBL 36 via Core Engine