Compound Detail
CHEMBL28833
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Basic Information
| ChEMBL ID | CHEMBL28833 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QRQZDZPCRVUFNL-UHFFFAOYSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
20
Publications
0
Known Names
Molecular Properties
334.5
MW (Da)
3.84
ALogP
3
HBA
1
HBD
35.2
PSA (Ų)
0.77
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 8.17
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(4) dopamine receptor CHEMBL3361 | Ki | 8.17 | 8.17 | 6.7 | 1 |
| 5-hydroxytryptamine receptor 7 CHEMBL3155 | Ki | 6.15 | 6.15 | 713.0 | 1 |
| D(3) dopamine receptor CHEMBL3138 | Ki | 6.04 | 6.04 | 921.0 | 1 |
| 5-hydroxytryptamine receptor 6 CHEMBL3371 | Ki | 5.19 | 5.19 | 6486.5 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(4) dopamine receptor | Ki | = | 6.7 | nM | 8.17 | In vitro binding affinity to rat Dopamine receptor D4 measured by displacement o... | 11378358 |
| 5-hydroxytryptamine receptor 7 | Ki | = | 713.0 | nM | 6.15 | In vitro binding affinity to human 5-hydroxytryptamine 7 receptor | 11378358 |
| D(3) dopamine receptor | Ki | = | 921.0 | nM | 6.04 | In vitro binding affinity to cloned rat Dopamine receptor D3 measured by displac... | 11378358 |
| 5-hydroxytryptamine receptor 6 | Ki | = | 6486.5 | nM | 5.19 | In vitro binding affinity to human 5-hydroxytryptamine 6 receptor | 11378358 |
Literature References
Data from ChEMBL 36 via Core Engine