Compound Detail
CHEMBL493888
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Basic Information
| ChEMBL ID | CHEMBL493888 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GQUWGYPVJACEKV-VISXPRAWSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
267.3
MW (Da)
-0.16
ALogP
8
HBA
3
HBD
96.1
PSA (Ų)
0.70
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 8.32
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adenosine receptor A3 CHEMBL256 | Ki | 8.32 | 8.32 | 4.8 | 1 |
| Adenosine receptor A1 CHEMBL226 | Ki | 5.97 | 5.97 | 1070.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adenosine receptor A3 | Ki | = | 4.8 | nM | 8.32 | Displacement of [125I]I-AB-MECA from human adenosine A3 receptor expressed in CH... | 18811138 |
| Adenosine receptor A1 | Ki | = | 1070.0 | nM | 5.97 | Displacement of [3H]CCPA from human adenosine A1 receptor expressed in CHO cells | 18811138 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18811138 | 10.1021/jm8008647 | Adenosine receptor A3 | 3 |
| 18811138 | 10.1021/jm8008647 | Adenosine receptor A1 | 1 |
| 18811138 | 10.1021/jm8008647 | Adenosine receptor A2a | 1 |
Data from ChEMBL 36 via Core Engine