Compound Detail
CHEMBL176804
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Basic Information
| ChEMBL ID | CHEMBL176804 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NCLVLZIXBDQXSP-OAHLLOKOSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
449.4
MW (Da)
3.57
ALogP
5
HBA
2
HBD
71.0
PSA (Ų)
0.68
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.62
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(2) dopamine receptor CHEMBL339 | IC50 | 8.62 | 8.62 | 2.4 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(2) dopamine receptor | IC50 | = | 2.4 | nM | 8.62 | Inhibition of [3H]spiperone binding to rat striatal dopamine receptor D2 was det... | 1672158 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 1672158 | 10.1021/jm00107a012 | D(2) dopamine receptor | 1 |
Data from ChEMBL 36 via Core Engine