Compound Detail
CHEMBL34245
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Basic Information
| ChEMBL ID | CHEMBL34245 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XDWLWCIDJXYZEU-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
329.9
MW (Da)
2.82
ALogP
6
HBA
1
HBD
44.3
PSA (Ų)
0.49
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 7.5
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Dopamine receptor CHEMBL2093868 | Ki | 7.5 | 7.5 | 32.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Dopamine receptor | Ki | = | 32.0 | nM | 7.5 | In vitro ability to displace [3H]spiroperidol from rat dopamine receptor | 7154006 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 7154006 | 10.1021/jm00354a014 | Dopamine receptor | 1 |
Data from ChEMBL 36 via Core Engine