Compound Detail
CHEMBL177113
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Basic Information
| ChEMBL ID | CHEMBL177113 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DJGQRLLDMDZTHC-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
309.2
MW (Da)
3.35
ALogP
5
HBA
1
HBD
63.8
PSA (Ų)
0.75
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adenosine receptor A1 CHEMBL318 | IC50 | 6.05 | 6.05 | 890.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adenosine receptor A1 | IC50 | = | 890.0 | nM | 6.05 | Binding affinity against adenosine A1 receptor in rat brain membrane preparation... | 3806606 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 3806606 | 10.1021/jm00384a016 | Adenosine receptor A1 | 2 |
Data from ChEMBL 36 via Core Engine