Compound Detail
CHEMBL185841
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Basic Information
| ChEMBL ID | CHEMBL185841 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QOZUIXJYJLLMJF-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
227.3
MW (Da)
3.50
ALogP
1
HBA
0
HBD
3.2
PSA (Ų)
0.75
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 7.2
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(3) dopamine receptor CHEMBL3138 | Ki | 7.2 | 7.2 | 63.0 | 1 |
| Unchecked CHEMBL612545 | Ki | 7.08 | 6.515 | 84.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(3) dopamine receptor | Ki | = | 63.0 | nM | 7.2 | Binding affinity towards dopamine D3 receptor in ventral striatal membranes of s... | 15501046 |
| Unchecked | Ki | = | 84.0 | nM | 7.08 | Binding affinity towards D2-like dopamine receptor in caudate-putamen membranes ... | 15501046 |
| Unchecked | Ki | = | 1117.0 | nM | 5.95 | Binding affinity towards D1-like dopamine receptor in caudate-putamen membranes ... | 15501046 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15501046 | 10.1016/j.bmcl.2004.09.047 | Unchecked | 4 |
| 15501046 | 10.1016/j.bmcl.2004.09.047 | D(3) dopamine receptor | 1 |
Data from ChEMBL 36 via Core Engine