Compound Detail
CHEMBL475346
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Basic Information
| ChEMBL ID | CHEMBL475346 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UWJVRSIGHHSDSJ-UHFFFAOYSA-N |
1
Targets
4
Activities
2
Assay Types
0
PK Parameters
15
Publications
1
Known Names
Molecular Properties
411.3
MW (Da)
7.21
ALogP
3
HBA
2
HBD
53.6
PSA (Ų)
0.37
QED
1
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 7.46
Ki 1 meas. best 5.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adenosine receptor A3 CHEMBL256 | EC50 | 7.46 | 7.3133 | 34.7 | 3 |
| Adenosine receptor A3 CHEMBL256 | Ki | 5.7 | 5.7 | 2000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adenosine receptor A3 | EC50 | = | 34.67 | nM | 7.46 | Positive allosteric modulation of human A3 adenosine receptor transfected in HEK... | 38959401 |
| Adenosine receptor A3 | EC50 | = | 38.02 | nM | 7.42 | Positive allosteric modulation of human A3 adenosine receptor transfected in HEK... | 38959401 |
| Adenosine receptor A3 | EC50 | = | 87.1 | nM | 7.06 | Positive allosteric modulation of human A3 adenosine receptor transfected in HEK... | 38959401 |
| Adenosine receptor A3 | Ki | = | 2000.0 | nM | 5.7 | Positive allosteric modulator activity in human wild type A3AR receptor stably e... | 36367749 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 38959401 | 10.1021/acs.jmedchem.4c00944 | Adenosine receptor A3 | 10 |
| 36367749 | 10.1021/acs.jmedchem.2c01170 | Adenosine receptor A3 | 4 |
| 16722654 | 10.1021/jm060086s | Adenosine receptor A3 | 3 |
| 19284749 | 10.1021/jm801659w | Adenosine receptor A3 | 3 |
| 19161279 | 10.1021/jm8014052 | Adenosine receptor A3 | 3 |
| 19161279 | 10.1021/jm8014052 | Adenosine receptor A1 | 2 |
| 16722654 | 10.1021/jm060086s | Adenosine receptor A1 | 1 |
| 16722654 | 10.1021/jm060086s | Adenosine receptor A2a | 1 |
| 16722654 | 10.1021/jm060086s | Adenosine receptor A2b | 1 |
| 19284749 | 10.1021/jm801659w | Adenosine receptor A1 | 1 |
| 19284749 | 10.1021/jm801659w | Adenosine receptor A2a | 1 |
| 19161279 | 10.1021/jm8014052 | Adenosine receptor A2a | 1 |
| 19161279 | 10.1021/jm8014052 | Adenosine receptor A2b | 1 |
| 22468757 | 10.1021/jm300087j | Adenosine receptor A3 | 1 |
| 25868747 | 10.1016/j.bmc.2015.03.039 | Adenosine receptor A3 | 1 |
Data from ChEMBL 36 via Core Engine