Compound Detail
CHEMBL605654
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Basic Information
| ChEMBL ID | CHEMBL605654 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WWILBNYUNBTULQ-RJNFYWFKSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
309.3
MW (Da)
-0.74
ALogP
9
HBA
4
HBD
125.5
PSA (Ų)
0.57
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adenosine receptor CHEMBL2111386 | IC50 | 8.4 | 8.4 | 4.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adenosine receptor | IC50 | = | 4.0 | nM | 8.4 | Displacement of [3H]CHA from rat brain adenosine receptor | 6313919 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11063610 | 10.1021/jm000287a | Phosphoglycerate kinase | 1 |
| 2999397 | 10.1021/jm00149a016 | Alpha-1A adrenergic receptor | 1 |
| 2999397 | 10.1021/jm00149a016 | ADMET | 1 |
| 6313919 | 10.1021/jm00365a010 | Adenosine receptor | 1 |
Data from ChEMBL 36 via Core Engine