Compound Detail
CHEMBL122533
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Basic Information
| ChEMBL ID | CHEMBL122533 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BUPWFKLTAPZHIE-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
413.9
MW (Da)
4.25
ALogP
4
HBA
2
HBD
67.6
PSA (Ų)
0.72
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 10.44
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(2) dopamine receptor CHEMBL339 | Ki | 10.44 | 10.44 | 0.0 | 1 |
| D(2) dopamine receptor CHEMBL217 | Ki | 9.6 | 9.6 | 0.3 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(2) dopamine receptor | Ki | = | 0.036 | nM | 10.44 | Inhibition of [125I]- NCQ 298 binding to D2 receptor of rat striatal tissue | 8246241 |
| D(2) dopamine receptor | Ki | = | 0.2512 | nM | 9.6 | Binding affinity towards dopamine D2 receptor | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/0960-894X(94)00453-M | D(2) dopamine receptor | 1 |
| 8246241 | 10.1021/jm00075a028 | D(2) dopamine receptor | 1 |
Data from ChEMBL 36 via Core Engine