Compound Detail
CHEMBL105861
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Basic Information
| ChEMBL ID | CHEMBL105861 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SWKGFZTXWQMFLK-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
270.3
MW (Da)
0.55
ALogP
5
HBA
1
HBD
72.7
PSA (Ų)
0.74
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 6.05 | 6.05 | 890.0 | 1 |
| Adenosine receptor A1 CHEMBL318 | IC50 | 5.82 | 5.82 | 1500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 890.0 | nM | 6.05 | Inhibition of Adenylate Cyclase in Rat adipocytes | 2258897 |
| Adenosine receptor A1 | IC50 | = | 1500.0 | nM | 5.82 | 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 |
| 2258897 | 10.1021/jm00174a004 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine