Compound Detail
CHEMBL280804
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Basic Information
| ChEMBL ID | CHEMBL280804 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IPMUUCRZGTZCPY-GCJKJVERSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
319.4
MW (Da)
4.44
ALogP
2
HBA
0
HBD
12.5
PSA (Ų)
0.83
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 8.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 7 CHEMBL3223 | Ki | 8.52 | 8.52 | 3.0 | 1 |
| 5-hydroxytryptamine receptor 1A CHEMBL214 | Ki | 7.72 | 7.72 | 19.1 | 1 |
| D(2) dopamine receptor CHEMBL217 | Ki | 7.61 | 7.61 | 24.5 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 7 | Ki | = | 3.05 | nM | 8.52 | Displacement of [3H]5-HT from over-expressed rat 5-hydroxytryptamine 7 receptor | 10753471 |
| 5-hydroxytryptamine receptor 1A | Ki | = | 19.1 | nM | 7.72 | Binding affinity was measured on cloned human 5-hydroxytryptamine 1A receptor wh... | 10753471 |
| D(2) dopamine receptor | Ki | = | 24.5 | nM | 7.61 | Displacement of [3H]raclopride from human Dopamine receptor D2A | 10753471 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10753471 | 10.1021/jm9911433 | 5-hydroxytryptamine receptor 7 | 1 |
| 10753471 | 10.1021/jm9911433 | 5-hydroxytryptamine receptor 1A | 1 |
| 10753471 | 10.1021/jm9911433 | D(2) dopamine receptor | 1 |
Data from ChEMBL 36 via Core Engine