Compound Detail
CHEMBL29534
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Basic Information
| ChEMBL ID | CHEMBL29534 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZCJARWHHTYLYBI-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
254.3
MW (Da)
1.99
ALogP
3
HBA
0
HBD
40.6
PSA (Ų)
0.72
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.27
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adenosine receptor A1 CHEMBL318 | IC50 | 4.27 | 4.27 | 54000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adenosine receptor A1 | IC50 | = | 54000.0 | nM | 4.27 | Antagonism of adenosine A1 receptor assessed from the ability to inhibit binding... | 6090665 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 6090665 | 10.1021/jm00376a027 | Adenosine receptor A1 | 1 |
| 6090665 | 10.1021/jm00376a027 | Cavia porcellus | 1 |
Data from ChEMBL 36 via Core Engine