Compound Detail
CHEMBL282424
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Basic Information
| ChEMBL ID | CHEMBL282424 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OOKNJSVAHXTYKL-UHFFFAOYSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
20
Publications
0
Known Names
Molecular Properties
310.4
MW (Da)
3.02
ALogP
3
HBA
1
HBD
35.2
PSA (Ų)
0.81
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 8.48
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(4) dopamine receptor CHEMBL3361 | Ki | 8.48 | 8.48 | 3.3 | 1 |
| 5-hydroxytryptamine receptor 7 CHEMBL3155 | Ki | 6.67 | 6.67 | 212.9 | 1 |
| 5-hydroxytryptamine receptor 2A CHEMBL224 | Ki | 6.62 | 6.62 | 242.0 | 1 |
| 5-hydroxytryptamine receptor 1A CHEMBL214 | Ki | 6.0 | 6.0 | 990.7 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(4) dopamine receptor | Ki | = | 3.3 | nM | 8.48 | In vitro binding affinity to rat Dopamine receptor D4 measured by displacement o... | 11378358 |
| 5-hydroxytryptamine receptor 7 | Ki | = | 212.9 | nM | 6.67 | In vitro binding affinity to human 5-hydroxytryptamine 7 receptor | 11378358 |
| 5-hydroxytryptamine receptor 2A | Ki | = | 242.0 | nM | 6.62 | Binding affinity to cloned human 5-hydroxytryptamine 2A receptor | 11378358 |
| 5-hydroxytryptamine receptor 1A | Ki | = | 990.7 | nM | 6.0 | In vitro binding affinity to human 5-hydroxytryptamine 1A receptor | 11378358 |
Literature References
Data from ChEMBL 36 via Core Engine