Compound Detail
CHEMBL363807
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Basic Information
| ChEMBL ID | CHEMBL363807 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YDNXKDCVCHJNPR-DTVLGXAZSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
355.8
MW (Da)
0.40
ALogP
9
HBA
4
HBD
125.5
PSA (Ų)
0.58
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 9.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adenosine receptor A1 CHEMBL226 | Ki | 9.1 | 9.1 | 0.8 | 1 |
| Adenosine receptor A3 CHEMBL256 | Ki | 7.38 | 7.38 | 42.0 | 1 |
| Adenosine receptor A2a CHEMBL251 | Ki | 5.64 | 5.64 | 2300.0 | 1 |
| Adenosine receptor A2b CHEMBL255 | Ki | 4.73 | 4.73 | 18800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adenosine receptor A1 | Ki | = | 0.8 | nM | 9.1 | Binding affinity for human adenosine A1 receptor subtype expressed in CHO cells | 15743197 |
| Adenosine receptor A3 | Ki | = | 42.0 | nM | 7.38 | Binding affinity for human adenosine A3 receptor subtype expressed in CHO cells | 15743197 |
| Adenosine receptor A2a | Ki | = | 2300.0 | nM | 5.64 | Binding affinity for human adenosine A2a receptor subtype expressed in CHO cells | 15743197 |
| Adenosine receptor A2b | Ki | = | 18800.0 | nM | 4.73 | Binding affinity for human adenosine A2b receptor subtype expressed in CHO cells | 15743197 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15743197 | 10.1021/jm049408n | Adenosine receptor A1 | 1 |
| 15743197 | 10.1021/jm049408n | Adenosine receptor A2a | 1 |
| 15743197 | 10.1021/jm049408n | Adenosine receptor A2b | 1 |
| 15743197 | 10.1021/jm049408n | Adenosine receptor A3 | 1 |
| 15743197 | 10.1021/jm049408n | Adenosine receptors; A1 & A2a | 1 |
| 15743197 | 10.1021/jm049408n | Adenosine receptors; A1 & A3 | 1 |
| 15743197 | 10.1021/jm049408n | Adenosine receptors; A2a & A3 | 1 |
Data from ChEMBL 36 via Core Engine