Compound Detail
CHEMBL112773
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Basic Information
| ChEMBL ID | CHEMBL112773 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PETARVSUFSTELX-LLVKDONJSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
420.3
MW (Da)
2.59
ALogP
7
HBA
1
HBD
98.9
PSA (Ų)
0.70
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 8.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adenosine receptor A2a CHEMBL251 | Ki | 8.7 | 8.7 | 2.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adenosine receptor A2a | Ki | = | 2.0 | nM | 8.7 | Binding affinity against human Adenosine A2a receptor (hA2a) | 15149696 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15149696 | 10.1016/j.bmcl.2004.03.104 | Adenosine receptor A2a | 1 |
| 15149696 | 10.1016/j.bmcl.2004.03.104 | Adenosine receptors; A1 & A2a | 1 |
Data from ChEMBL 36 via Core Engine