Compound Detail
CHEMBL185263
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Basic Information
| ChEMBL ID | CHEMBL185263 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZFHFDLWCYZLOQK-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
327.4
MW (Da)
2.89
ALogP
3
HBA
1
HBD
35.6
PSA (Ų)
0.94
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 7.21
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(4) dopamine receptor CHEMBL219 | Ki | 7.21 | 7.125 | 61.9 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(4) dopamine receptor | Ki | = | 61.9 | nM | 7.21 | In vitro ability to inhibit [3H]spiperone binding to human Dopamine receptor D4.... | 15380206 |
| D(4) dopamine receptor | Ki | = | 90.7 | nM | 7.04 | In vitro ability to inhibit [3H]6b binding to human Dopamine receptor D4.4 | 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