Compound Detail
CHEMBL282829
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL282829 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FKHBXKAEVUTBRK-UHFFFAOYSA-N |
5
Targets
5
Activities
1
Assay Types
0
PK Parameters
20
Publications
0
Known Names
Molecular Properties
320.4
MW (Da)
3.45
ALogP
3
HBA
1
HBD
35.2
PSA (Ų)
0.80
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 5 meas. best 8.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(4) dopamine receptor CHEMBL3361 | Ki | 8.3 | 8.3 | 5.0 | 1 |
| 5-hydroxytryptamine receptor 7 CHEMBL3155 | Ki | 6.39 | 6.39 | 411.0 | 1 |
| 5-hydroxytryptamine receptor 2A CHEMBL224 | Ki | 6.2 | 6.2 | 627.0 | 1 |
| D(3) dopamine receptor CHEMBL3138 | Ki | 5.77 | 5.77 | 1692.0 | 1 |
| 5-hydroxytryptamine receptor 6 CHEMBL3371 | Ki | 5.35 | 5.35 | 4460.7 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(4) dopamine receptor | Ki | = | 5.0 | nM | 8.3 | In vitro binding affinity to rat Dopamine receptor D4 measured by displacement o... | 11378358 |
| 5-hydroxytryptamine receptor 7 | Ki | = | 411.0 | nM | 6.39 | In vitro binding affinity to human 5-hydroxytryptamine 7 receptor | 11378358 |
| 5-hydroxytryptamine receptor 2A | Ki | = | 627.0 | nM | 6.2 | Binding affinity to cloned human 5-hydroxytryptamine 2A receptor | 11378358 |
| D(3) dopamine receptor | Ki | = | 1692.0 | nM | 5.77 | In vitro binding affinity to cloned rat Dopamine receptor D3 measured by displac... | 11378358 |
| 5-hydroxytryptamine receptor 6 | Ki | = | 4460.7 | nM | 5.35 | In vitro binding affinity to human 5-hydroxytryptamine 6 receptor | 11378358 |
Literature References
Data from ChEMBL 36 via Core Engine