Compound Detail
CHEMBL283036
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Basic Information
| ChEMBL ID | CHEMBL283036 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BFQIOOYNLCWKIJ-UHFFFAOYSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
20
Publications
0
Known Names
Molecular Properties
360.4
MW (Da)
3.90
ALogP
3
HBA
1
HBD
35.2
PSA (Ų)
0.77
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 7.47
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(4) dopamine receptor CHEMBL3361 | Ki | 7.47 | 7.47 | 34.1 | 1 |
| 5-hydroxytryptamine receptor 7 CHEMBL3155 | Ki | 6.5 | 6.5 | 318.2 | 1 |
| 5-hydroxytryptamine receptor 2A CHEMBL224 | Ki | 5.55 | 5.55 | 2791.0 | 1 |
| 5-hydroxytryptamine receptor 6 CHEMBL3371 | Ki | 5.15 | 5.15 | 7109.5 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(4) dopamine receptor | Ki | = | 34.1 | nM | 7.47 | In vitro binding affinity to rat Dopamine receptor D4 measured by displacement o... | 11378358 |
| 5-hydroxytryptamine receptor 7 | Ki | = | 318.2 | nM | 6.5 | In vitro binding affinity to human 5-hydroxytryptamine 7 receptor | 11378358 |
| 5-hydroxytryptamine receptor 2A | Ki | = | 2791.0 | nM | 5.55 | Binding affinity to cloned human 5-hydroxytryptamine 2A receptor | 11378358 |
| 5-hydroxytryptamine receptor 6 | Ki | = | 7109.5 | nM | 5.15 | In vitro binding affinity to human 5-hydroxytryptamine 6 receptor | 11378358 |
Literature References
Data from ChEMBL 36 via Core Engine