Compound Detail
CHEMBL5086466
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Basic Information
| ChEMBL ID | CHEMBL5086466 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GIFTWWDTQQTTNZ-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
390.4
MW (Da)
4.97
ALogP
5
HBA
1
HBD
67.8
PSA (Ų)
0.53
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 7.16
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adenosine receptor A3 CHEMBL256 | Ki | 7.16 | 7.16 | 69.2 | 1 |
| Adenosine receptor A1 CHEMBL226 | Ki | 7.1 | 7.1 | 78.7 | 1 |
| Adenosine receptor A2a CHEMBL251 | Ki | 5.45 | 5.45 | 3550.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adenosine receptor A3 | Ki | = | 69.2 | nM | 7.16 | Displacement of [125I]I-AB-MECA from human adenosine A3 receptor expressed in HE... | 35450351 |
| Adenosine receptor A1 | Ki | = | 78.7 | nM | 7.1 | Displacement of [3H] DPCPX from human adenosine A1 receptor expressed in HEK293 ... | 35450351 |
| Adenosine receptor A2a | Ki | = | 3550.0 | nM | 5.45 | Displacement of [3H] ZM241385 from human adenosine A2A receptor expressed in HEK... | 35450351 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 35450351 | 10.1021/acsmedchemlett.1c00685 | Adenosine receptor A3 | 1 |
| 35450351 | 10.1021/acsmedchemlett.1c00685 | Adenosine receptor A2b | 1 |
| 35450351 | 10.1021/acsmedchemlett.1c00685 | Adenosine receptor A2a | 1 |
| 35450351 | 10.1021/acsmedchemlett.1c00685 | Adenosine receptor A1 | 1 |
Data from ChEMBL 36 via Core Engine