Compound Detail
CHEMBL3133153
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Basic Information
| ChEMBL ID | CHEMBL3133153 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IGILDMOZLJCRKA-QMWPFBOUSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
323.3
MW (Da)
-2.18
ALogP
10
HBA
5
HBD
160.4
PSA (Ų)
0.42
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 8.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adenosine receptor A3 CHEMBL256 | EC50 | 8.3 | 8.3 | 5.0 | 1 |
| Adenosine receptor A2b CHEMBL255 | EC50 | 5.8 | 5.8 | 1584.9 | 1 |
| Adenosine receptor A1 CHEMBL226 | EC50 | 5.4 | 5.4 | 3981.1 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adenosine receptor A3 | EC50 | = | 5.012 | nM | 8.3 | Agonist activity at human adenosine A3 receptor expressed in FlpIn-CHO cells ass... | - |
| Adenosine receptor A2b | EC50 | = | 1584.89 | nM | 5.8 | Agonist activity at human adenosine A2B receptor expressed in FlpIn-CHO cells as... | - |
| Adenosine receptor A1 | EC50 | = | 3981.07 | nM | 5.4 | Agonist activity at human adenosine A1 receptor expressed in FlpIn-CHO cells ass... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1039/C3MD00364G | Unchecked | 2 |
| - | 10.1039/C3MD00364G | Adenosine receptor A2a | 1 |
| - | 10.1039/C3MD00364G | Adenosine receptors; A1 & A3 | 1 |
| - | 10.1039/C3MD00364G | Adenosine receptor A3 | 1 |
| - | 10.1039/C3MD00364G | Adenosine receptor A2b | 1 |
| - | 10.1039/C3MD00364G | Adenosine receptor A1 | 1 |
Data from ChEMBL 36 via Core Engine