Compound Detail
CHEMBL1573515
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL1573515 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZRWBHKXIXMTWJN-UHFFFAOYSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
251.3
MW (Da)
2.31
ALogP
4
HBA
1
HBD
46.4
PSA (Ų)
0.78
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 4 meas. best 3.88
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adenosine receptor A2a CHEMBL251 | Kd | 3.88 | 3.88 | 131000.0 | 1 |
| Adenosine receptor A1 CHEMBL226 | Kd | 3.81 | 3.81 | 154000.0 | 1 |
| Adenosine receptor A2b CHEMBL255 | Kd | 3.7 | 3.7 | 199000.0 | 1 |
| Adenosine receptor A3 CHEMBL256 | Kd | 3.7 | 3.7 | 200000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adenosine receptor A2a | Kd | = | 131000.0 | nM | 3.88 | Binding affinity to human wild type adenosine A2A receptor expressed in Expi293F... | 35859869 |
| Adenosine receptor A1 | Kd | = | 154000.0 | nM | 3.81 | Binding affinity to human wild type adenosine A1 receptor expressed in Expi293F ... | 35859869 |
| Adenosine receptor A2b | Kd | = | 199000.0 | nM | 3.7 | Binding affinity to human wild type adenosine A2B receptor expressed in Expi293F... | 35859869 |
| Adenosine receptor A3 | Kd | = | 200000.0 | nM | 3.7 | Binding affinity to human wild type adenosine A3 receptor expressed in Expi293F ... | 35859869 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 35859869 | 10.1021/acsmedchemlett.2c00099 | Adenosine receptor A2a | 2 |
| 35859869 | 10.1021/acsmedchemlett.2c00099 | Adenosine receptor A1 | 1 |
| 35859869 | 10.1021/acsmedchemlett.2c00099 | Adenosine receptor A2b | 1 |
| 35859869 | 10.1021/acsmedchemlett.2c00099 | Adenosine receptor A3 | 1 |
| 35859869 | 10.1021/acsmedchemlett.2c00099 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine