Compound Detail
CHEMBL544059
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Basic Information
| ChEMBL ID | CHEMBL544059 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WPOKIDVVNJNHKG-UHFFFAOYSA-N |
| Parent Compound | CHEMBL1192766 |
| Active Moiety | CHEMBL1192766 |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
341.8
MW (Da)
4.37
ALogP
3
HBA
1
HBD
41.1
PSA (Ų)
0.72
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 7.35
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(2) dopamine receptor CHEMBL5456 | Ki | 7.35 | 7.35 | 45.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(2) dopamine receptor | Ki | = | 45.0 | nM | 7.35 | Displacement of [3H]YM-09151 from recombinant African green monkey Dopamine rece... | 7783157 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 7783157 | 10.1021/jm00012a026 | D(2) dopamine receptor | 1 |
Data from ChEMBL 36 via Core Engine