Compound Detail
CHEMBL1276561
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Basic Information
| ChEMBL ID | CHEMBL1276561 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LTYLKFKJUXNUBZ-LBPRGKRZSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
385.3
MW (Da)
2.94
ALogP
4
HBA
2
HBD
61.8
PSA (Ų)
0.79
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.64
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(2) dopamine receptor CHEMBL217 | IC50 | 8.64 | 8.64 | 2.3 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(2) dopamine receptor | IC50 | = | 2.291 | nM | 8.64 | Antagonist activity at dopamine D2 receptor | 20728966 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20728966 | 10.1016/j.ejmech.2010.07.056 | D(2) dopamine receptor | 1 |
Data from ChEMBL 36 via Core Engine