Compound Detail
CHEMBL5956914
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Basic Information
| ChEMBL ID | CHEMBL5956914 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LIEMFCIWVVJSSA-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
333.7
MW (Da)
3.77
ALogP
5
HBA
1
HBD
77.6
PSA (Ų)
0.74
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 8.9
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adenosine receptor A2a CHEMBL251 | Ki | 8.9 | 8.9 | 1.3 | 1 |
| Adenosine receptor A1 CHEMBL226 | Ki | 7.76 | 7.76 | 17.4 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adenosine receptor A2a | Ki | = | 1.26 | nM | 8.9 | Binding Assay: All test compounds were prepared as a stock solution of 10 mM in ... | - |
| Adenosine receptor A1 | Ki | = | 17.4 | nM | 7.76 | Binding Assay: All test compounds were prepared as a stock solution of 10 mM in ... | - |
Data from ChEMBL 36 via Core Engine