Compound Detail
CHEMBL513776
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Basic Information
| ChEMBL ID | CHEMBL513776 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BUOWMBFFJAPTLV-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
327.8
MW (Da)
3.31
ALogP
3
HBA
2
HBD
52.1
PSA (Ų)
0.78
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 5.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(4) dopamine receptor CHEMBL219 | Ki | 5.92 | 5.92 | 1213.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(4) dopamine receptor | Ki | = | 1213.0 | nM | 5.92 | Displacement of [125I]DOI from human dopamine D4 receptor by liquid scintillatio... | 19155177 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19155177 | 10.1016/j.bmc.2008.12.054 | D(2) dopamine receptor | 1 |
| 19155177 | 10.1016/j.bmc.2008.12.054 | D(3) dopamine receptor | 1 |
| 19155177 | 10.1016/j.bmc.2008.12.054 | D(4) dopamine receptor | 1 |
Data from ChEMBL 36 via Core Engine