Compound Detail
CHEMBL29590
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Basic Information
| ChEMBL ID | CHEMBL29590 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WSFVXGHWSJYMQS-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
323.8
MW (Da)
2.16
ALogP
4
HBA
0
HBD
53.0
PSA (Ų)
0.80
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.35
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adenosine receptor A1 CHEMBL318 | IC50 | 4.35 | 4.35 | 45000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adenosine receptor A1 | IC50 | = | 45000.0 | nM | 4.35 | 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