Compound Detail
CHEMBL146557
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Basic Information
| ChEMBL ID | CHEMBL146557 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DZKGMYCNIICGIS-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
372.5
MW (Da)
4.37
ALogP
5
HBA
1
HBD
46.2
PSA (Ų)
0.58
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 6.75
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(2) dopamine receptor CHEMBL5456 | Ki | 6.75 | 6.75 | 176.0 | 1 |
| D(3) dopamine receptor CHEMBL2304406 | Ki | 6.4 | 6.4 | 398.0 | 1 |
| D(4) dopamine receptor CHEMBL219 | Ki | 6.19 | 6.19 | 646.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(2) dopamine receptor | Ki | = | 176.0 | nM | 6.75 | Displacement of [3H]-YM 09151 from african green monkey Dopamine receptor D2 | 8523409 |
| D(3) dopamine receptor | Ki | = | 398.0 | nM | 6.4 | Displacement of [3H]-YM 09151 from african monkey Dopamine receptor D3 | 8523409 |
| D(4) dopamine receptor | Ki | = | 646.0 | nM | 6.19 | Displacement of [3H]-YM 09151 from human Dopamine receptor D4 | 8523409 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8523409 | 10.1021/jm00025a013 | D(2) dopamine receptor | 1 |
| 8523409 | 10.1021/jm00025a013 | D(3) dopamine receptor | 1 |
| 8523409 | 10.1021/jm00025a013 | D(4) dopamine receptor | 1 |
Data from ChEMBL 36 via Core Engine