Compound Detail
CHEMBL276825
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Basic Information
| ChEMBL ID | CHEMBL276825 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZRAGXRIXRXDXCR-WUJWULDRSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
243.3
MW (Da)
2.99
ALogP
2
HBA
0
HBD
12.5
PSA (Ų)
0.76
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 8.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1A CHEMBL214 | Ki | 8.0 | 8.0 | 10.0 | 1 |
| D(2) dopamine receptor CHEMBL217 | Ki | 7.3 | 7.3 | 50.0 | 1 |
| D(2) dopamine receptor CHEMBL339 | Ki | 7.0 | 7.0 | 99.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1A | Ki | = | 10.0 | nM | 8.0 | Binding affinity against 5-hydroxytryptamine 1A receptor from bovine hippocampus... | 8496900 |
| D(2) dopamine receptor | Ki | = | 50.0 | nM | 7.3 | Compound was tested for agonistic activity against D2 receptor from cloned CHO c... | 8496900 |
| D(2) dopamine receptor | Ki | = | 99.0 | nM | 7.0 | Compound was tested for antagonistic activity against D2 receptor from rat stria... | 8496900 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8496900 | 10.1021/jm00062a001 | D(2) dopamine receptor | 3 |
| 8496900 | 10.1021/jm00062a001 | 5-hydroxytryptamine receptor 1A | 1 |
Data from ChEMBL 36 via Core Engine