Compound Detail
CHEMBL117527
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Basic Information
| ChEMBL ID | CHEMBL117527 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XBGWTWPYCTZIIE-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
329.5
MW (Da)
5.66
ALogP
1
HBA
0
HBD
3.2
PSA (Ų)
0.70
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.95
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(2) dopamine receptor CHEMBL339 | IC50 | 6.95 | 6.95 | 112.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(2) dopamine receptor | IC50 | = | 112.0 | nM | 6.95 | In vitro inhibition of [3H]spiperone binding to Dopamine D2 receptor in rat stri... | 7932581 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 7932581 | 10.1021/jm00047a010 | D(2) dopamine receptor | 1 |
| 7932581 | 10.1021/jm00047a010 | Mus musculus | 1 |
| 7932581 | 10.1021/jm00047a010 | Rattus norvegicus | 1 |
Data from ChEMBL 36 via Core Engine