Compound Detail
CHEMBL184772
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Basic Information
| ChEMBL ID | CHEMBL184772 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | REGCDVFJQDPGCA-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
339.4
MW (Da)
2.76
ALogP
4
HBA
1
HBD
44.8
PSA (Ų)
0.91
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 7.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(4) dopamine receptor CHEMBL219 | Ki | 7.05 | 7.025 | 88.9 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(4) dopamine receptor | Ki | = | 88.9 | nM | 7.05 | In vitro ability to inhibit [3H]6b binding to human Dopamine receptor D4.4 | 15380206 |
| D(4) dopamine receptor | Ki | = | 101.0 | nM | 7.0 | In vitro ability to inhibit [3H]spiperone binding to human Dopamine receptor D4.... | 15380206 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15380206 | 10.1016/j.bmcl.2004.07.068 | D(4) dopamine receptor | 3 |
Data from ChEMBL 36 via Core Engine