Compound Detail
CHEMBL221549
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Basic Information
| ChEMBL ID | CHEMBL221549 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WGZMUKVNOBTQJA-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
432.0
MW (Da)
3.69
ALogP
5
HBA
1
HBD
54.0
PSA (Ų)
0.61
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 8.51
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(3) dopamine receptor CHEMBL234 | Ki | 8.51 | 8.51 | 3.1 | 1 |
| D(4) dopamine receptor CHEMBL219 | Ki | 6.77 | 6.77 | 169.8 | 1 |
| D(2) dopamine receptor CHEMBL217 | Ki | 6.55 | 6.55 | 281.8 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(3) dopamine receptor | Ki | = | 3.09 | nM | 8.51 | Displacement of [3H]spiperone from human dopamine D3 expressed in CHO cell membr... | 17266201 |
| D(4) dopamine receptor | Ki | = | 169.82 | nM | 6.77 | Displacement of [3H]spiperone from human dopamine D4.4 expressed in CHO cell mem... | 17266201 |
| D(2) dopamine receptor | Ki | = | 281.84 | nM | 6.55 | Binding affinity to dopamine D2 | 17266201 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17266201 | 10.1021/jm0611152 | Dopamine receptors; D2 & D3 | 1 |
| 17266201 | 10.1021/jm0611152 | Dopamine receptors; D3 & D4 | 1 |
| 17266201 | 10.1021/jm0611152 | D(2) dopamine receptor | 1 |
| 17266201 | 10.1021/jm0611152 | D(3) dopamine receptor | 1 |
| 17266201 | 10.1021/jm0611152 | D(4) dopamine receptor | 1 |
Data from ChEMBL 36 via Core Engine