Compound Detail
CHEMBL515526
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Basic Information
| ChEMBL ID | CHEMBL515526 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MDTXXSDPNKPXPF-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
323.4
MW (Da)
2.61
ALogP
6
HBA
2
HBD
92.9
PSA (Ų)
0.77
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 8.72
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adenosine receptor A2a CHEMBL251 | Ki | 8.72 | 8.72 | 1.9 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adenosine receptor A2a | Ki | = | 1.9 | nM | 8.72 | Displacement of [3H]ZM241385 from human adenosine A2A receptor expressed in HEK2... | 19140664 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19140664 | 10.1021/jm800908d | Adenosine receptor A2a | 1 |
Data from ChEMBL 36 via Core Engine