Compound Detail
CHEMBL120927
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Basic Information
| ChEMBL ID | CHEMBL120927 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XKOOJEWWQSZWFX-OAHLLOKOSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
260.3
MW (Da)
3.47
ALogP
2
HBA
0
HBD
16.1
PSA (Ų)
0.58
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 7.57
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 7 CHEMBL3223 | Ki | 7.57 | 7.57 | 27.2 | 1 |
| 5-hydroxytryptamine receptor 1A CHEMBL214 | Ki | 7.21 | 7.21 | 62.3 | 1 |
| D(2) dopamine receptor CHEMBL217 | Ki | 5.88 | 5.88 | 1330.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 7 | Ki | = | 27.2 | nM | 7.57 | In vitro binding affinity towards cloned rat 5-hydroxytryptamine 7 receptor usin... | 11212112 |
| 5-hydroxytryptamine receptor 1A | Ki | = | 62.3 | nM | 7.21 | In vitro binding affinity towards cloned human 5-hydroxytryptamine 1A receptor e... | 11212112 |
| D(2) dopamine receptor | Ki | = | 1330.0 | nM | 5.88 | In vitro binding affinity towards cloned human Dopamine receptor D2A using [3H]-... | 11212112 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11212112 | 10.1016/s0960-894x(00)00655-7 | 5-hydroxytryptamine receptor 7 | 1 |
| 11212112 | 10.1016/s0960-894x(00)00655-7 | 5-hydroxytryptamine receptor 1A | 1 |
| 11212112 | 10.1016/s0960-894x(00)00655-7 | D(2) dopamine receptor | 1 |
Data from ChEMBL 36 via Core Engine