Compound Detail
CHEMBL545460
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Basic Information
| ChEMBL ID | CHEMBL545460 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MNLMUXCHMAWRFD-UHFFFAOYSA-N |
| Parent Compound | CHEMBL1193969 |
| Active Moiety | CHEMBL1193969 |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
337.4
MW (Da)
3.73
ALogP
4
HBA
1
HBD
50.4
PSA (Ų)
0.71
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 5.43
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(2) dopamine receptor CHEMBL5456 | Ki | 5.43 | 5.43 | 3750.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(2) dopamine receptor | Ki | = | 3750.0 | nM | 5.43 | 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